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

C18H23N — CID 81361545

IUPAC(1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCCc1ccc(CN[C@@H](C)c2cccc(C)c2)cc1
InChIInChI=1S/C18H23N/c1-4-16-8-10-17(11-9-16)13-19-15(3)18-7-5-6-14(2)12-18/h5-12,15,19H,4,13H2,1-3H3/t15-/m0/s1
InChIKeyHYIAQUXVNWMASF-HNNXBMFYSA-N
MW253.39 g/mol
LogP4.41
Rot. Bonds5

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

(1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine (PubChem CID 81361545) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is (1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
PubChem CID81361545
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name(1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCCc1ccc(CN[C@@H](C)c2cccc(C)c2)cc1
InChIInChI=1S/C18H23N/c1-4-16-8-10-17(11-9-16)13-19-15(3)18-7-5-6-14(2)12-18/h5-12,15,19H,4,13H2,1-3H3/t15-/m0/s1
InChIKeyHYIAQUXVNWMASF-HNNXBMFYSA-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 ≤ 500253.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364360
(1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81363211
(1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364175
4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 81364333
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
(1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363727
(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363119
(1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104756791
(1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363703
(1S)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-methylphenyl)ethanamine
CID 81361061
N-[(4-ethylphenyl)methyl]-1-(3-nitrophenyl)ethanamine
CID 60943582
2-methoxy-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81364019

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine (CID 81361545) is (1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine is CCc1ccc(CN[C@@H](C)c2cccc(C)c2)cc1.
What is the InChIKey of (1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine?
The InChIKey is HYIAQUXVNWMASF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-16-8-10-17(11-9-16)13-19-15(3)18-7-5-6-14(2)12-18/h5-12,15,19H,4,13H2,1-3H3/t15-/m0/s1.
What are the key properties of (1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine?
(1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine has a molecular weight of 253.39 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-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 81361545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).