N-[[4-(chloromethyl)phenyl]methyl]-4-methylpyridin-2-amine

C14H15ClN2 — CID 107233111

IUPACN-[[4-(chloromethyl)phenyl]methyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(NCc2ccc(CCl)cc2)c1
InChIInChI=1S/C14H15ClN2/c1-11-6-7-16-14(8-11)17-10-13-4-2-12(9-15)3-5-13/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyBWNWAFRUKIUOHH-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.74
Rot. Bonds4

About N-[[4-(chloromethyl)phenyl]methyl]-4-methylpyridin-2-amine

N-[[4-(chloromethyl)phenyl]methyl]-4-methylpyridin-2-amine (PubChem CID 107233111) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is N-[[4-(chloromethyl)phenyl]methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[[4-(chloromethyl)phenyl]methyl]-4-methylpyridin-2-amine
PubChem CID107233111
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC NameN-[[4-(chloromethyl)phenyl]methyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(NCc2ccc(CCl)cc2)c1
InChIInChI=1S/C14H15ClN2/c1-11-6-7-16-14(8-11)17-10-13-4-2-12(9-15)3-5-13/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyBWNWAFRUKIUOHH-UHFFFAOYSA-N
XLogP3.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 107233201
4-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 40787521
N-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine
CID 53414444
3-[[(4-methyl-2-pyridinyl)amino]methyl]phenol
CID 82674382
N-(4-chlorobutyl)-4-methylpyridin-2-amine
CID 106845034
4-methyl-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine
CID 80702925
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyridin-2-amine
CID 106374176
N-[2-(4-methoxyphenyl)ethyl]-4-methylpyridin-2-amine
CID 59643127
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-4-methylpyridin-2-amine
CID 115735513
5-(chloromethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide
CID 82109082
N-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide
CID 44999915
N,4-dimethylpyridin-2-amine;hydrochloride
CID 54595444

Frequently Asked Questions

What is the IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]-4-methylpyridin-2-amine?
The IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]-4-methylpyridin-2-amine (CID 107233111) is N-[[4-(chloromethyl)phenyl]methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for N-[[4-(chloromethyl)phenyl]methyl]-4-methylpyridin-2-amine?
The canonical SMILES for N-[[4-(chloromethyl)phenyl]methyl]-4-methylpyridin-2-amine is Cc1ccnc(NCc2ccc(CCl)cc2)c1.
What is the InChIKey of N-[[4-(chloromethyl)phenyl]methyl]-4-methylpyridin-2-amine?
The InChIKey is BWNWAFRUKIUOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-11-6-7-16-14(8-11)17-10-13-4-2-12(9-15)3-5-13/h2-8H,9-10H2,1H3,(H,16,17).
What are the key properties of N-[[4-(chloromethyl)phenyl]methyl]-4-methylpyridin-2-amine?
N-[[4-(chloromethyl)phenyl]methyl]-4-methylpyridin-2-amine has a molecular weight of 246.74 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(chloromethyl)phenyl]methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 107233111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).