4-[(S)-amino(cyclopropyl)methyl]-N-benzylaniline

C17H20N2 — CID 171221091

IUPAC4-[(S)-amino(cyclopropyl)methyl]-N-benzylaniline
SMILESN[C@H](c1ccc(NCc2ccccc2)cc1)C1CC1
InChIInChI=1S/C17H20N2/c18-17(14-6-7-14)15-8-10-16(11-9-15)19-12-13-4-2-1-3-5-13/h1-5,8-11,14,17,19H,6-7,12,18H2/t17-/m0/s1
InChIKeyKQWZSVGCLLVTHB-KRWDZBQOSA-N
MW252.36 g/mol
LogP3.71
Rot. Bonds5

About 4-[(S)-amino(cyclopropyl)methyl]-N-benzylaniline

4-[(S)-amino(cyclopropyl)methyl]-N-benzylaniline (PubChem CID 171221091) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[(S)-amino(cyclopropyl)methyl]-N-benzylaniline.

Molecular Properties

Compound Name4-[(S)-amino(cyclopropyl)methyl]-N-benzylaniline
PubChem CID171221091
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name4-[(S)-amino(cyclopropyl)methyl]-N-benzylaniline
SMILESN[C@H](c1ccc(NCc2ccccc2)cc1)C1CC1
InChIInChI=1S/C17H20N2/c18-17(14-6-7-14)15-8-10-16(11-9-15)19-12-13-4-2-1-3-5-13/h1-5,8-11,14,17,19H,6-7,12,18H2/t17-/m0/s1
InChIKeyKQWZSVGCLLVTHB-KRWDZBQOSA-N
XLogP3.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-[4-(benzylamino)phenyl]ethanol;hydrochloride
CID 171201573
4-[(1S)-1-amino-3-fluoropropyl]-N-benzylaniline
CID 171221087
(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171230786
(R)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171211184
N-benzyl-4-[(R)-cyclopropyl(piperazin-1-yl)methyl]aniline;dihydrochloride
CID 171287703
(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171230787
4-[(1R)-1-aminobutyl]-N-benzylaniline;hydrochloride
CID 171201534
(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
(3R)-3-amino-3-[4-(benzylamino)phenyl]-2,2-difluoropropan-1-ol
CID 171240157
CID 163931246
CID 163931246
4-[(1R)-1-aminohexyl]-N-benzylaniline
CID 171201539

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-amino(cyclopropyl)methyl]-N-benzylaniline?
The IUPAC name of 4-[(S)-amino(cyclopropyl)methyl]-N-benzylaniline (CID 171221091) is 4-[(S)-amino(cyclopropyl)methyl]-N-benzylaniline.
What is the SMILES notation for 4-[(S)-amino(cyclopropyl)methyl]-N-benzylaniline?
The canonical SMILES for 4-[(S)-amino(cyclopropyl)methyl]-N-benzylaniline is N[C@H](c1ccc(NCc2ccccc2)cc1)C1CC1.
What is the InChIKey of 4-[(S)-amino(cyclopropyl)methyl]-N-benzylaniline?
The InChIKey is KQWZSVGCLLVTHB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N2/c18-17(14-6-7-14)15-8-10-16(11-9-15)19-12-13-4-2-1-3-5-13/h1-5,8-11,14,17,19H,6-7,12,18H2/t17-/m0/s1.
What are the key properties of 4-[(S)-amino(cyclopropyl)methyl]-N-benzylaniline?
4-[(S)-amino(cyclopropyl)methyl]-N-benzylaniline has a molecular weight of 252.36 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-amino(cyclopropyl)methyl]-N-benzylaniline is sourced from PubChem (CID 171221091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).