N-(cyclopropylmethyl)-3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)-N-methylpropan-1-amine

C23H29F2NO — CID 18434929

IUPACN-(cyclopropylmethyl)-3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)-N-methylpropan-1-amine
SMILESCc1cccc(C)c1C(COCc1c(F)cccc1F)CN(C)CC1CC1
InChIInChI=1S/C23H29F2NO/c1-16-6-4-7-17(2)23(16)19(13-26(3)12-18-10-11-18)14-27-15-20-21(24)8-5-9-22(20)25/h4-9,18-19H,10-15H2,1-3H3
InChIKeyNBJNRYPKJBIWHP-UHFFFAOYSA-N
MW373.49 g/mol
LogP5.22
Rot. Bonds9

About N-(cyclopropylmethyl)-3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)-N-methylpropan-1-amine

N-(cyclopropylmethyl)-3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)-N-methylpropan-1-amine (PubChem CID 18434929) has the molecular formula C23H29F2NO and a molecular weight of 373.49 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)-N-methylpropan-1-amine
PubChem CID18434929
Molecular FormulaC23H29F2NO
Molecular Weight373.49 g/mol
Exact Mass373.22
IUPAC NameN-(cyclopropylmethyl)-3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)-N-methylpropan-1-amine
SMILESCc1cccc(C)c1C(COCc1c(F)cccc1F)CN(C)CC1CC1
InChIInChI=1S/C23H29F2NO/c1-16-6-4-7-17(2)23(16)19(13-26(3)12-18-10-11-18)14-27-15-20-21(24)8-5-9-22(20)25/h4-9,18-19H,10-15H2,1-3H3
InChIKeyNBJNRYPKJBIWHP-UHFFFAOYSA-N
XLogP5.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.49
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]-N,2-dimethylprop-2-en-1-amine
CID 18435011
3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)-N-propylpropan-1-amine
CID 18434988
N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine
CID 18435000
N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine;hydrochloride
CID 18434999
N-(cyclohex-3-en-1-ylmethyl)-2-[3-(2,6-difluorophenyl)propoxy]-2-(2,6-dimethylphenyl)-N-methylethanamine
CID 23502671
N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]-4-fluorobutan-1-amine;hydrochloride
CID 18435049
N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-(2-fluorophenyl)-N-methoxypropan-1-amine;hydrobromide
CID 160605058
2-[[carboxy(hydroxy)methyl]-(cyclobutylmethyl)-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]azaniumyl]-2-hydroxyacetate
CID 173217745
N-(cyclopropylmethyl)-2,3-bis(2,6-dimethylphenyl)-N-methoxypropan-1-amine;hydrochloride
CID 159854214
1-[(2,6-difluorophenyl)methoxy]butan-2-amine
CID 102548785
1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 60984207
(2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 93424361

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)-N-methylpropan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)-N-methylpropan-1-amine (CID 18434929) is N-(cyclopropylmethyl)-3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)-N-methylpropan-1-amine is Cc1cccc(C)c1C(COCc1c(F)cccc1F)CN(C)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)-N-methylpropan-1-amine?
The InChIKey is NBJNRYPKJBIWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2NO/c1-16-6-4-7-17(2)23(16)19(13-26(3)12-18-10-11-18)14-27-15-20-21(24)8-5-9-22(20)25/h4-9,18-19H,10-15H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)-N-methylpropan-1-amine?
N-(cyclopropylmethyl)-3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)-N-methylpropan-1-amine has a molecular weight of 373.49 g/mol, XLogP of 5.22, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 18434929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).