(1R)-N-[(2,4-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine

C16H20N2 — CID 28643694

IUPAC(1R)-N-[(2,4-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine
SMILESCc1ccc(CN[C@H](C)c2ccncc2)c(C)c1
InChIInChI=1S/C16H20N2/c1-12-4-5-16(13(2)10-12)11-18-14(3)15-6-8-17-9-7-15/h4-10,14,18H,11H2,1-3H3/t14-/m1/s1
InChIKeyOCRXCPWHDBTTGB-CQSZACIVSA-N
MW240.35 g/mol
LogP3.55
Rot. Bonds4

About (1R)-N-[(2,4-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine

(1R)-N-[(2,4-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 28643694) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (1R)-N-[(2,4-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(2,4-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine
PubChem CID28643694
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name(1R)-N-[(2,4-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine
SMILESCc1ccc(CN[C@H](C)c2ccncc2)c(C)c1
InChIInChI=1S/C16H20N2/c1-12-4-5-16(13(2)10-12)11-18-14(3)15-6-8-17-9-7-15/h4-10,14,18H,11H2,1-3H3/t14-/m1/s1
InChIKeyOCRXCPWHDBTTGB-CQSZACIVSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(2-chloro-4-methylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 106862995
(1S)-N-[(2,3-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406440
(1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669648
4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]benzene-1,2,3-triol
CID 107730940
2,4-dimethyl-N-(1-pyridin-4-ylethyl)aniline
CID 43189781
N-[(3-methyl-4-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 114699302
N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 104853862
N-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 106862514
N-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine
CID 60684201
N-[(2,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 65316008
(1S)-N-[(4-bromo-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406056
(2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol
CID 93083054

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2,4-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1R)-N-[(2,4-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine (CID 28643694) is (1R)-N-[(2,4-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1R)-N-[(2,4-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1R)-N-[(2,4-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine is Cc1ccc(CN[C@H](C)c2ccncc2)c(C)c1.
What is the InChIKey of (1R)-N-[(2,4-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is OCRXCPWHDBTTGB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N2/c1-12-4-5-16(13(2)10-12)11-18-14(3)15-6-8-17-9-7-15/h4-10,14,18H,11H2,1-3H3/t14-/m1/s1.
What are the key properties of (1R)-N-[(2,4-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine?
(1R)-N-[(2,4-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 240.35 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2,4-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 28643694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).