4-(2-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine

C17H21ClN2 — CID 90681231

IUPAC4-(2-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine
SMILESCN(C)CCCC(c1ccccn1)c1ccccc1Cl
InChIInChI=1S/C17H21ClN2/c1-20(2)13-7-9-15(17-11-5-6-12-19-17)14-8-3-4-10-16(14)18/h3-6,8,10-12,15H,7,9,13H2,1-2H3
InChIKeyVHZCQDQABCMPTO-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.21
Rot. Bonds6

About 4-(2-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine

4-(2-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine (PubChem CID 90681231) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine
PubChem CID90681231
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name4-(2-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine
SMILESCN(C)CCCC(c1ccccn1)c1ccccc1Cl
InChIInChI=1S/C17H21ClN2/c1-20(2)13-7-9-15(17-11-5-6-12-19-17)14-8-3-4-10-16(14)18/h3-6,8,10-12,15H,7,9,13H2,1-2H3
InChIKeyVHZCQDQABCMPTO-UHFFFAOYSA-N
XLogP4.21
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine?
The IUPAC name of 4-(2-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine (CID 90681231) is 4-(2-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine?
The canonical SMILES for 4-(2-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine is CN(C)CCCC(c1ccccn1)c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine?
The InChIKey is VHZCQDQABCMPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-20(2)13-7-9-15(17-11-5-6-12-19-17)14-8-3-4-10-16(14)18/h3-6,8,10-12,15H,7,9,13H2,1-2H3.
What are the key properties of 4-(2-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine?
4-(2-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine has a molecular weight of 288.82 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine is sourced from PubChem (CID 90681231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).