(1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine

C18H21N — CID 81351295

IUPAC(1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine
SMILESC[C@H](NCc1ccc(C2CC2)cc1)c1ccccc1
InChIInChI=1S/C18H21N/c1-14(16-5-3-2-4-6-16)19-13-15-7-9-17(10-8-15)18-11-12-18/h2-10,14,18-19H,11-13H2,1H3/t14-/m0/s1
InChIKeyYLWIIUIZTBGPGA-AWEZNQCLSA-N
MW251.37 g/mol
LogP4.41
Rot. Bonds5

About (1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine

(1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine (PubChem CID 81351295) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is (1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine
PubChem CID81351295
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name(1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine
SMILESC[C@H](NCc1ccc(C2CC2)cc1)c1ccccc1
InChIInChI=1S/C18H21N/c1-14(16-5-3-2-4-6-16)19-13-15-7-9-17(10-8-15)18-11-12-18/h2-10,14,18-19H,11-13H2,1H3/t14-/m0/s1
InChIKeyYLWIIUIZTBGPGA-AWEZNQCLSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79978825
N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 79979049
3-[1-[(4-cyclopropylphenyl)methylamino]ethyl]phenol
CID 79978926
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
N-[(4-cyclopropylphenyl)methyl]-1-phenylpropan-1-amine
CID 79979602
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718
N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine;hydrochloride
CID 172883048
(2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol
CID 107862540
N,N-dimethyl-4-[[[(1S)-1-phenylethyl]amino]methyl]aniline
CID 961203

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine?
The IUPAC name of (1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine (CID 81351295) is (1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine.
What is the SMILES notation for (1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine?
The canonical SMILES for (1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine is C[C@H](NCc1ccc(C2CC2)cc1)c1ccccc1.
What is the InChIKey of (1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine?
The InChIKey is YLWIIUIZTBGPGA-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N/c1-14(16-5-3-2-4-6-16)19-13-15-7-9-17(10-8-15)18-11-12-18/h2-10,14,18-19H,11-13H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine?
(1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine has a molecular weight of 251.37 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine is sourced from PubChem (CID 81351295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).