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

C24H33NO — CID 18435000

IUPACN-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine
SMILESCc1cccc(C)c1COCC(CNCC1CC1)c1c(C)cccc1C
InChIInChI=1S/C24H33NO/c1-17-7-5-8-18(2)23(17)16-26-15-22(14-25-13-21-11-12-21)24-19(3)9-6-10-20(24)4/h5-10,21-22,25H,11-16H2,1-4H3
InChIKeySRRFOFZNCPFXNF-UHFFFAOYSA-N
MW351.53 g/mol
LogP5.22
Rot. Bonds9

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

N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine (PubChem CID 18435000) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine
PubChem CID18435000
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC NameN-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine
SMILESCc1cccc(C)c1COCC(CNCC1CC1)c1c(C)cccc1C
InChIInChI=1S/C24H33NO/c1-17-7-5-8-18(2)23(17)16-26-15-22(14-25-13-21-11-12-21)24-19(3)9-6-10-20(24)4/h5-10,21-22,25H,11-16H2,1-4H3
InChIKeySRRFOFZNCPFXNF-UHFFFAOYSA-N
XLogP5.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine;hydrochloride
CID 18434999
3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)-N-propylpropan-1-amine
CID 18434988
N-(cyclopropylmethyl)-3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)-N-methylpropan-1-amine
CID 18434929
N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]-4-fluorobutan-1-amine;hydrochloride
CID 18435049
N-(cyclopropylmethyl)-2,3-bis(2,6-dimethylphenyl)-N-methoxypropan-1-amine;hydrochloride
CID 159854214
2-[[carboxy(hydroxy)methyl]-(cyclobutylmethyl)-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]azaniumyl]-2-hydroxyacetate
CID 173217745
N-(cyclohex-3-en-1-ylmethyl)-2-[3-(2,6-difluorophenyl)propoxy]-2-(2,6-dimethylphenyl)ethanamine
CID 23502681
N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]-N,2-dimethylprop-2-en-1-amine
CID 18435011
(2R)-1-(2,6-dimethylphenoxy)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]propan-2-ol
CID 6358994
4-[[(2,3-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147038
3-(cyclopropylmethoxy)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 106930862
2-(cyclopropylmethylamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide;hydrochloride
CID 119745985

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine (CID 18435000) is N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine is Cc1cccc(C)c1COCC(CNCC1CC1)c1c(C)cccc1C.
What is the InChIKey of N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine?
The InChIKey is SRRFOFZNCPFXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO/c1-17-7-5-8-18(2)23(17)16-26-15-22(14-25-13-21-11-12-21)24-19(3)9-6-10-20(24)4/h5-10,21-22,25H,11-16H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine?
N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine has a molecular weight of 351.53 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(2,6-dimethylphenyl)-3-[(2,6-dimethylphenyl)methoxy]propan-1-amine is sourced from PubChem (CID 18435000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).