(1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine

C19H25N — CID 81363211

IUPAC(1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCc1cccc([C@@H](C)NCc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C19H25N/c1-14(2)18-10-8-17(9-11-18)13-20-16(4)19-7-5-6-15(3)12-19/h5-12,14,16,20H,13H2,1-4H3/t16-/m1/s1
InChIKeyJCQUSETYGQRGSN-MRXNPFEDSA-N
MW267.42 g/mol
LogP4.97
Rot. Bonds5

About (1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine

(1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine (PubChem CID 81363211) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is (1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
PubChem CID81363211
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name(1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCc1cccc([C@@H](C)NCc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C19H25N/c1-14(2)18-10-8-17(9-11-18)13-20-16(4)19-7-5-6-15(3)12-19/h5-12,14,16,20H,13H2,1-4H3/t16-/m1/s1
InChIKeyJCQUSETYGQRGSN-MRXNPFEDSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81361545
(1R)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364360
(1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363727
4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 81364333
(1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363703
(1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364175
(1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104756791
(1S)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-methylphenyl)ethanamine
CID 81361061
[1-(3-methylphenyl)ethylamino]methanolate
CID 163854725
N-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 29282807
N-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine
CID 78950390
(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363119

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine (CID 81363211) is (1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine is Cc1cccc([C@@H](C)NCc2ccc(C(C)C)cc2)c1.
What is the InChIKey of (1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The InChIKey is JCQUSETYGQRGSN-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N/c1-14(2)18-10-8-17(9-11-18)13-20-16(4)19-7-5-6-15(3)12-19/h5-12,14,16,20H,13H2,1-4H3/t16-/m1/s1.
What are the key properties of (1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
(1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine has a molecular weight of 267.42 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 81363211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).