(1R)-1-(2-methylphenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine

C20H27N — CID 81353811

IUPAC(1R)-1-(2-methylphenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
SMILESCc1ccccc1[C@@H](C)NCc1ccc(CC(C)C)cc1
InChIInChI=1S/C20H27N/c1-15(2)13-18-9-11-19(12-10-18)14-21-17(4)20-8-6-5-7-16(20)3/h5-12,15,17,21H,13-14H2,1-4H3/t17-/m1/s1
InChIKeyBNVXPHGSMGFXPQ-QGZVFWFLSA-N
MW281.44 g/mol
LogP5.04
Rot. Bonds6

About (1R)-1-(2-methylphenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine

(1R)-1-(2-methylphenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine (PubChem CID 81353811) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is (1R)-1-(2-methylphenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-methylphenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
PubChem CID81353811
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name(1R)-1-(2-methylphenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
SMILESCc1ccccc1[C@@H](C)NCc1ccc(CC(C)C)cc1
InChIInChI=1S/C20H27N/c1-15(2)13-18-9-11-19(12-10-18)14-21-17(4)20-8-6-5-7-16(20)3/h5-12,15,17,21H,13-14H2,1-4H3/t17-/m1/s1
InChIKeyBNVXPHGSMGFXPQ-QGZVFWFLSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-(2-methylphenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine with MolForge

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Related Compounds

(1S)-N-[[4-(difluoromethyl)phenyl]methyl]-1-(2-methylphenyl)ethanamine
CID 115524148
4-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 28652871
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81373666
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 106816985
(1S)-N-[(3,4-dibromophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 104865448
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 28652647
(1R)-1-(2-methylphenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 28556156
(1R)-1-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 29053404
2-bromo-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenol
CID 81375588
(1R)-1-(2-methylphenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81375507
2-methoxy-4-[[1-(2-methylphenyl)ethylamino]methyl]phenol
CID 43181528
1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 22483034

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methylphenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine?
The IUPAC name of (1R)-1-(2-methylphenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine (CID 81353811) is (1R)-1-(2-methylphenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-methylphenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine?
The canonical SMILES for (1R)-1-(2-methylphenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine is Cc1ccccc1[C@@H](C)NCc1ccc(CC(C)C)cc1.
What is the InChIKey of (1R)-1-(2-methylphenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine?
The InChIKey is BNVXPHGSMGFXPQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27N/c1-15(2)13-18-9-11-19(12-10-18)14-21-17(4)20-8-6-5-7-16(20)3/h5-12,15,17,21H,13-14H2,1-4H3/t17-/m1/s1.
What are the key properties of (1R)-1-(2-methylphenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine?
(1R)-1-(2-methylphenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine has a molecular weight of 281.44 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methylphenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 81353811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).