N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methoxypyridin-2-amine

C14H21ClN2O — CID 113371331

IUPACN-[1-(chloromethyl)-4-methylcyclohexyl]-3-methoxypyridin-2-amine
SMILESCOc1cccnc1NC1(CCl)CCC(C)CC1
InChIInChI=1S/C14H21ClN2O/c1-11-5-7-14(10-15,8-6-11)17-13-12(18-2)4-3-9-16-13/h3-4,9,11H,5-8,10H2,1-2H3,(H,16,17)
InChIKeyNEIJFIKSPRCUTF-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.69
Rot. Bonds4

About N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methoxypyridin-2-amine

N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methoxypyridin-2-amine (PubChem CID 113371331) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methoxypyridin-2-amine.

Molecular Properties

Compound NameN-[1-(chloromethyl)-4-methylcyclohexyl]-3-methoxypyridin-2-amine
PubChem CID113371331
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[1-(chloromethyl)-4-methylcyclohexyl]-3-methoxypyridin-2-amine
SMILESCOc1cccnc1NC1(CCl)CCC(C)CC1
InChIInChI=1S/C14H21ClN2O/c1-11-5-7-14(10-15,8-6-11)17-13-12(18-2)4-3-9-16-13/h3-4,9,11H,5-8,10H2,1-2H3,(H,16,17)
InChIKeyNEIJFIKSPRCUTF-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(chloromethyl)cyclohexyl]-5-methoxyisoquinolin-1-amine
CID 106542747
N-[1-(chloromethyl)-3-methylcyclohexyl]-3-methylpyridin-2-amine
CID 65028763
1-[[1-(chloromethyl)-4-methylcyclohexyl]amino]isoquinolin-7-ol
CID 106542756
N-[1-(chloromethyl)cyclopentyl]-3-methylpyridin-2-amine
CID 65029490
3-methoxy-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine
CID 106214712
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-methylpyrimidin-4-amine
CID 65028103
N-[1-(chloromethyl)-4-methylcyclohexyl]-1-ethylimidazol-2-amine
CID 65028463
N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 112635634
4-[[1-(chloromethyl)-4-methylcyclohexyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136990250
1-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 65029969
N-(1-cyclopropylethyl)-3-methoxypyridin-2-amine
CID 115923060
3-bromo-N-[4-(chloromethyl)oxan-4-yl]pyridin-2-amine
CID 106300053

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methoxypyridin-2-amine?
The IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methoxypyridin-2-amine (CID 113371331) is N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methoxypyridin-2-amine.
What is the SMILES notation for N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methoxypyridin-2-amine?
The canonical SMILES for N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methoxypyridin-2-amine is COc1cccnc1NC1(CCl)CCC(C)CC1.
What is the InChIKey of N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methoxypyridin-2-amine?
The InChIKey is NEIJFIKSPRCUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-11-5-7-14(10-15,8-6-11)17-13-12(18-2)4-3-9-16-13/h3-4,9,11H,5-8,10H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methoxypyridin-2-amine?
N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methoxypyridin-2-amine has a molecular weight of 268.79 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methoxypyridin-2-amine is sourced from PubChem (CID 113371331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).