3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide

C16H18N2O — CID 28564891

IUPAC3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide
SMILESC[C@H](NCc1cccc(C(N)=O)c1)c1ccccc1
InChIInChI=1S/C16H18N2O/c1-12(14-7-3-2-4-8-14)18-11-13-6-5-9-15(10-13)16(17)19/h2-10,12,18H,11H2,1H3,(H2,17,19)/t12-/m0/s1
InChIKeyRZNMXTNUFIHCEW-LBPRGKRZSA-N
MW254.33 g/mol
LogP2.64
Rot. Bonds5

About 3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide

3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide (PubChem CID 28564891) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide
PubChem CID28564891
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide
SMILESC[C@H](NCc1cccc(C(N)=O)c1)c1ccccc1
InChIInChI=1S/C16H18N2O/c1-12(14-7-3-2-4-8-14)18-11-13-6-5-9-15(10-13)16(17)19/h2-10,12,18H,11H2,1H3,(H2,17,19)/t12-/m0/s1
InChIKeyRZNMXTNUFIHCEW-LBPRGKRZSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide
CID 43778803
3-[[1-(4-methylsulfanylphenyl)ethylamino]methyl]benzamide
CID 43664717
3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide
CID 43664738
3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide
CID 43664720
3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide
CID 43664678
3-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]benzoic acid
CID 103258914
3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide
CID 43664706
3-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]benzamide
CID 55172421
3-[[1-(3-bromophenyl)ethylamino]methyl]benzoic acid
CID 103241329
3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]benzoic acid
CID 103258711
3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide
CID 43664726
ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate
CID 61498569

Frequently Asked Questions

What is the IUPAC name of 3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide?
The IUPAC name of 3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide (CID 28564891) is 3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide is C[C@H](NCc1cccc(C(N)=O)c1)c1ccccc1.
What is the InChIKey of 3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide?
The InChIKey is RZNMXTNUFIHCEW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12(14-7-3-2-4-8-14)18-11-13-6-5-9-15(10-13)16(17)19/h2-10,12,18H,11H2,1H3,(H2,17,19)/t12-/m0/s1.
What are the key properties of 3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide?
3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide has a molecular weight of 254.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide is sourced from PubChem (CID 28564891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).