4-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]aniline

C19H18N2 — CID 762865

IUPAC4-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]aniline
SMILESCc1ccc(N[C@H](c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C19H18N2/c1-15-7-9-18(10-8-15)21-19(16-5-3-2-4-6-16)17-11-13-20-14-12-17/h2-14,19,21H,1H3/t19-/m1/s1
InChIKeyLYTDMFYRQQOOCY-LJQANCHMSA-N
MW274.37 g/mol
LogP4.59
Rot. Bonds4

About 4-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]aniline

4-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]aniline (PubChem CID 762865) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]aniline
PubChem CID762865
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name4-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]aniline
SMILESCc1ccc(N[C@H](c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C19H18N2/c1-15-7-9-18(10-8-15)21-19(16-5-3-2-4-6-16)17-11-13-20-14-12-17/h2-14,19,21H,1H3/t19-/m1/s1
InChIKeyLYTDMFYRQQOOCY-LJQANCHMSA-N
XLogP4.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-[phenyl(pyridin-4-yl)methyl]aniline;dihydrochloride
CID 44657868
2-[4-[[phenyl(pyridin-4-yl)methyl]amino]phenyl]ethanol
CID 110902658
3-fluoro-N-[phenyl(pyridin-4-yl)methyl]aniline
CID 43608159
1-(4-methylphenyl)-2-[[phenyl(pyridin-4-yl)methyl]amino]ethanol
CID 110010234
N-[phenyl(pyridin-3-yl)methyl]aniline
CID 59907870
4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
CID 43765835
N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]aniline
CID 1403996
N-benzhydryl-4-ethylaniline
CID 175202309
trianilino-(4-methylanilino)phosphanium chloride
CID 21238664
1-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 110452390
3-[(4-methylanilino)-phenylmethyl]-1H-quinoxalin-2-one
CID 3524572
N-benzhydryl-5-methylpyridin-2-amine
CID 43344292

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]aniline?
The IUPAC name of 4-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]aniline (CID 762865) is 4-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]aniline.
What is the SMILES notation for 4-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]aniline?
The canonical SMILES for 4-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]aniline is Cc1ccc(N[C@H](c2ccccc2)c2ccncc2)cc1.
What is the InChIKey of 4-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]aniline?
The InChIKey is LYTDMFYRQQOOCY-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18N2/c1-15-7-9-18(10-8-15)21-19(16-5-3-2-4-6-16)17-11-13-20-14-12-17/h2-14,19,21H,1H3/t19-/m1/s1.
What are the key properties of 4-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]aniline?
4-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]aniline has a molecular weight of 274.37 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]aniline is sourced from PubChem (CID 762865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).