N-[(4-chloro-2-pyridinyl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine

C14H23ClN2 — CID 79255061

IUPACN-[(4-chloro-2-pyridinyl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CN(Cc1cc(Cl)ccn1)CC(C)C
InChIInChI=1S/C14H23ClN2/c1-11(2)8-17(9-12(3)4)10-14-7-13(15)5-6-16-14/h5-7,11-12H,8-10H2,1-4H3
InChIKeyFSFPWZZPXNIZTM-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.85
Rot. Bonds6

About N-[(4-chloro-2-pyridinyl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine

N-[(4-chloro-2-pyridinyl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 79255061) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is N-[(4-chloro-2-pyridinyl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-pyridinyl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID79255061
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC NameN-[(4-chloro-2-pyridinyl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CN(Cc1cc(Cl)ccn1)CC(C)C
InChIInChI=1S/C14H23ClN2/c1-11(2)8-17(9-12(3)4)10-14-7-13(15)5-6-16-14/h5-7,11-12H,8-10H2,1-4H3
InChIKeyFSFPWZZPXNIZTM-UHFFFAOYSA-N
XLogP3.85
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 79255061) is N-[(4-chloro-2-pyridinyl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for N-[(4-chloro-2-pyridinyl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for N-[(4-chloro-2-pyridinyl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine is CC(C)CN(Cc1cc(Cl)ccn1)CC(C)C.
What is the InChIKey of N-[(4-chloro-2-pyridinyl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is FSFPWZZPXNIZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-11(2)8-17(9-12(3)4)10-14-7-13(15)5-6-16-14/h5-7,11-12H,8-10H2,1-4H3.
What are the key properties of N-[(4-chloro-2-pyridinyl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
N-[(4-chloro-2-pyridinyl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 254.80 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-pyridinyl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 79255061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).