1-(3-chloro-4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine

C14H16ClN3 — CID 106816664

IUPAC1-(3-chloro-4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
SMILESCc1nccc(CNCc2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C14H16ClN3/c1-10-3-4-12(7-14(10)15)8-16-9-13-5-6-17-11(2)18-13/h3-7,16H,8-9H2,1-2H3
InChIKeyRMRGVBJLRSNWAO-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.04
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine

1-(3-chloro-4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine (PubChem CID 106816664) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
PubChem CID106816664
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name1-(3-chloro-4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
SMILESCc1nccc(CNCc2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C14H16ClN3/c1-10-3-4-12(7-14(10)15)8-16-9-13-5-6-17-11(2)18-13/h3-7,16H,8-9H2,1-2H3
InChIKeyRMRGVBJLRSNWAO-UHFFFAOYSA-N
XLogP3.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 54893579
1-(6-methyl-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 62997232
4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]benzonitrile
CID 47272282
2-ethoxy-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]phenol
CID 60960431
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088
N,N-diethyl-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]aniline
CID 60960957
1-(2,4-dimethylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 54893614
N-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-ylethanamine
CID 106816068
1-(4-bromophenyl)-N-[(3-chloro-4-methylphenyl)methyl]methanamine
CID 106816098
4-[[(3-chloro-4-methylphenyl)methylamino]methyl]benzonitrile
CID 106816587
N-[(2-methylpyrimidin-4-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 61211880
N-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine
CID 61016402

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine (CID 106816664) is 1-(3-chloro-4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine is Cc1nccc(CNCc2ccc(C)c(Cl)c2)n1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine?
The InChIKey is RMRGVBJLRSNWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10-3-4-12(7-14(10)15)8-16-9-13-5-6-17-11(2)18-13/h3-7,16H,8-9H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine?
1-(3-chloro-4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine has a molecular weight of 261.76 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine is sourced from PubChem (CID 106816664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).