4-[(1S)-1-amino-3-fluoropropyl]-N-benzylaniline

C16H19FN2 — CID 171221087

IUPAC4-[(1S)-1-amino-3-fluoropropyl]-N-benzylaniline
SMILESN[C@@H](CCF)c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C16H19FN2/c17-11-10-16(18)14-6-8-15(9-7-14)19-12-13-4-2-1-3-5-13/h1-9,16,19H,10-12,18H2/t16-/m0/s1
InChIKeyPAENCCMCGQWQTE-INIZCTEOSA-N
MW258.34 g/mol
LogP3.66
Rot. Bonds6

About 4-[(1S)-1-amino-3-fluoropropyl]-N-benzylaniline

4-[(1S)-1-amino-3-fluoropropyl]-N-benzylaniline (PubChem CID 171221087) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-[(1S)-1-amino-3-fluoropropyl]-N-benzylaniline.

Molecular Properties

Compound Name4-[(1S)-1-amino-3-fluoropropyl]-N-benzylaniline
PubChem CID171221087
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name4-[(1S)-1-amino-3-fluoropropyl]-N-benzylaniline
SMILESN[C@@H](CCF)c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C16H19FN2/c17-11-10-16(18)14-6-8-15(9-7-14)19-12-13-4-2-1-3-5-13/h1-9,16,19H,10-12,18H2/t16-/m0/s1
InChIKeyPAENCCMCGQWQTE-INIZCTEOSA-N
XLogP3.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R)-1-aminobutyl]-N-benzylaniline;hydrochloride
CID 171201534
(2S)-2-amino-2-[4-(benzylamino)phenyl]ethanol;hydrochloride
CID 171201573
4-[(1R)-1-aminohexyl]-N-benzylaniline
CID 171201539
4-[(1S)-1-aminopent-4-enyl]-N-benzylaniline;hydrochloride
CID 171221102
ethyl (3R)-3-amino-3-[4-(benzylamino)phenyl]propanoate
CID 171201574
(1R)-3-fluoro-1-(4-phenylphenyl)propan-1-amine;hydrochloride
CID 171208436
(3R)-3-amino-3-[4-(benzylamino)phenyl]-2,2-difluoropropan-1-ol
CID 171240157
4-[(S)-amino(cyclopropyl)methyl]-N-benzylaniline
CID 171221091
methyl (3R)-3-amino-3-[4-(benzylamino)phenyl]-2,2-dimethylpropanoate;hydrochloride
CID 171240144
(1R,2S)-1-amino-1-[4-(benzylamino)phenyl]propan-2-ol;hydrochloride
CID 171261462
(1S,2R)-1-amino-1-[4-(benzylamino)phenyl]propan-2-ol;hydrochloride
CID 171267147
ethyl (3R)-3-amino-3-[4-(benzylamino)phenyl]-2,2-difluoropropanoate
CID 171240145

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-3-fluoropropyl]-N-benzylaniline?
The IUPAC name of 4-[(1S)-1-amino-3-fluoropropyl]-N-benzylaniline (CID 171221087) is 4-[(1S)-1-amino-3-fluoropropyl]-N-benzylaniline.
What is the SMILES notation for 4-[(1S)-1-amino-3-fluoropropyl]-N-benzylaniline?
The canonical SMILES for 4-[(1S)-1-amino-3-fluoropropyl]-N-benzylaniline is N[C@@H](CCF)c1ccc(NCc2ccccc2)cc1.
What is the InChIKey of 4-[(1S)-1-amino-3-fluoropropyl]-N-benzylaniline?
The InChIKey is PAENCCMCGQWQTE-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19FN2/c17-11-10-16(18)14-6-8-15(9-7-14)19-12-13-4-2-1-3-5-13/h1-9,16,19H,10-12,18H2/t16-/m0/s1.
What are the key properties of 4-[(1S)-1-amino-3-fluoropropyl]-N-benzylaniline?
4-[(1S)-1-amino-3-fluoropropyl]-N-benzylaniline has a molecular weight of 258.34 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-3-fluoropropyl]-N-benzylaniline is sourced from PubChem (CID 171221087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).