5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylpyridin-4-amine

C14H23ClN2 — CID 81235646

IUPAC5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylpyridin-4-amine
SMILESCc1cc(N(CC(C)C)C(C)C)c(CCl)cn1
InChIInChI=1S/C14H23ClN2/c1-10(2)9-17(11(3)4)14-6-12(5)16-8-13(14)7-15/h6,8,10-11H,7,9H2,1-5H3
InChIKeyKHBGROGGTCIJOK-UHFFFAOYSA-N
MW254.80 g/mol
LogP4.00
Rot. Bonds5

About 5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylpyridin-4-amine

5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylpyridin-4-amine (PubChem CID 81235646) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylpyridin-4-amine.

Molecular Properties

Compound Name5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylpyridin-4-amine
PubChem CID81235646
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylpyridin-4-amine
SMILESCc1cc(N(CC(C)C)C(C)C)c(CCl)cn1
InChIInChI=1S/C14H23ClN2/c1-10(2)9-17(11(3)4)14-6-12(5)16-8-13(14)7-15/h6,8,10-11H,7,9H2,1-5H3
InChIKeyKHBGROGGTCIJOK-UHFFFAOYSA-N
XLogP4.00
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylpropyl)pyridin-4-amine
CID 81233598
5-bromo-2-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63541934
5-chloro-4-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
CID 114920954
4-chloro-2-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 114846541
5-(chloromethyl)-N,2-dimethyl-N-propylpyridin-4-amine
CID 81238502
5-(chloromethyl)-N,2-dimethyl-N-(4-methylcyclohexyl)pyridin-4-amine
CID 81234834
2-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propylpyridin-4-amine
CID 81249870
5-(chloromethyl)-N,2-dimethyl-N-(2-methylsulfanylethyl)pyridin-4-amine
CID 112663613
5-(chloromethyl)-2,4-dimethylpyridine;hydrochloride
CID 155822261
2-methyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)pyridin-4-amine
CID 81249761
5-(chloromethyl)-N-(2-ethoxyethyl)-N,2-dimethylpyridin-4-amine
CID 81234440
5-(chloromethyl)-4-ethyl-2-methylpyridine
CID 168797453

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylpyridin-4-amine?
The IUPAC name of 5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylpyridin-4-amine (CID 81235646) is 5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylpyridin-4-amine.
What is the SMILES notation for 5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylpyridin-4-amine?
The canonical SMILES for 5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylpyridin-4-amine is Cc1cc(N(CC(C)C)C(C)C)c(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylpyridin-4-amine?
The InChIKey is KHBGROGGTCIJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-10(2)9-17(11(3)4)14-6-12(5)16-8-13(14)7-15/h6,8,10-11H,7,9H2,1-5H3.
What are the key properties of 5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylpyridin-4-amine?
5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylpyridin-4-amine has a molecular weight of 254.80 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylpyridin-4-amine is sourced from PubChem (CID 81235646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).