N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine

C14H22FNO — CID 115712747

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine
SMILESCOCC(C)CNC(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-11(10-17-3)9-16-12(2)8-13-4-6-14(15)7-5-13/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyPJKPCLVEDXXYEL-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.63
Rot. Bonds7

About N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine

N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine (PubChem CID 115712747) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine
PubChem CID115712747
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine
SMILESCOCC(C)CNC(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-11(10-17-3)9-16-12(2)8-13-4-6-14(15)7-5-13/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyPJKPCLVEDXXYEL-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-fluorophenyl)propan-2-ylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989898
(2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine
CID 7047069
1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717047
N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride
CID 44890739
N-[1-(4-fluorophenyl)propan-2-yl]-1-methoxypentan-2-amine
CID 114829888
ethyl 3-[1-(4-fluorophenyl)propan-2-ylamino]-2-methylpropanoate
CID 55141490
2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide
CID 103250419
2-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethoxy]acetamide
CID 106235256
1-(4-fluorophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]propan-2-amine
CID 113348787
N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine
CID 62997090
3,3,3-trifluoro-2-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]propanenitrile
CID 103367260
1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine
CID 115706199

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine (CID 115712747) is N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine is COCC(C)CNC(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine?
The InChIKey is PJKPCLVEDXXYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-11(10-17-3)9-16-12(2)8-13-4-6-14(15)7-5-13/h4-7,11-12,16H,8-10H2,1-3H3.
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine?
N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 115712747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).