(1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine

C19H23N — CID 81356483

IUPAC(1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](C)NCc2cccc(C3CC3)c2)cc1
InChIInChI=1S/C19H23N/c1-14-6-8-17(9-7-14)15(2)20-13-16-4-3-5-19(12-16)18-10-11-18/h3-9,12,15,18,20H,10-11,13H2,1-2H3/t15-/m0/s1
InChIKeyVCOCKSCAXCJPIQ-HNNXBMFYSA-N
MW265.40 g/mol
LogP4.72
Rot. Bonds5

About (1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine

(1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine (PubChem CID 81356483) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is (1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
PubChem CID81356483
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name(1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](C)NCc2cccc(C3CC3)c2)cc1
InChIInChI=1S/C19H23N/c1-14-6-8-17(9-7-14)15(2)20-13-16-4-3-5-19(12-16)18-10-11-18/h3-9,12,15,18,20H,10-11,13H2,1-2H3/t15-/m0/s1
InChIKeyVCOCKSCAXCJPIQ-HNNXBMFYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 79979302
(1R)-1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 81354119
(1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349778
(1S)-N-[(3-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398469
(1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81347473
N-[(2-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 79889045
(1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348754
N-[(3-cyclopropylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 79969399
(1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 28622798
1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181981
1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60958113
(1R)-1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81347368

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine (CID 81356483) is (1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine is Cc1ccc([C@H](C)NCc2cccc(C3CC3)c2)cc1.
What is the InChIKey of (1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is VCOCKSCAXCJPIQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N/c1-14-6-8-17(9-7-14)15(2)20-13-16-4-3-5-19(12-16)18-10-11-18/h3-9,12,15,18,20H,10-11,13H2,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine?
(1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 265.40 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 81356483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).