N-[(5-chloro-2-pyridin-2-ylphenyl)methyl]propan-2-amine

C15H17ClN2 — CID 66160704

IUPACN-[(5-chloro-2-pyridin-2-ylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1cc(Cl)ccc1-c1ccccn1
InChIInChI=1S/C15H17ClN2/c1-11(2)18-10-12-9-13(16)6-7-14(12)15-5-3-4-8-17-15/h3-9,11,18H,10H2,1-2H3
InChIKeyCCCMSYAAYCYQAT-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.90
Rot. Bonds4

About N-[(5-chloro-2-pyridin-2-ylphenyl)methyl]propan-2-amine

N-[(5-chloro-2-pyridin-2-ylphenyl)methyl]propan-2-amine (PubChem CID 66160704) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is N-[(5-chloro-2-pyridin-2-ylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-pyridin-2-ylphenyl)methyl]propan-2-amine
PubChem CID66160704
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC NameN-[(5-chloro-2-pyridin-2-ylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1cc(Cl)ccc1-c1ccccn1
InChIInChI=1S/C15H17ClN2/c1-11(2)18-10-12-9-13(16)6-7-14(12)15-5-3-4-8-17-15/h3-9,11,18H,10H2,1-2H3
InChIKeyCCCMSYAAYCYQAT-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-chloro-2-(4-methylphenyl)phenyl]methyl]propan-2-amine
CID 66160680
N-[[5-chloro-2-(1,5-dimethylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66156907
N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 167531090
N-[[5-chloro-2-(3,4,5-trifluorophenyl)phenyl]methyl]propan-2-amine
CID 66160299
N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride
CID 115614136
2-(4-chloro-2-fluorophenyl)pyridine
CID 57200729
N-[[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]methyl]propan-2-amine
CID 66159713
N-[[5-chloro-2-(4-propylphenyl)phenyl]methyl]propan-2-amine
CID 66160506
N-[[5-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66158084
(1R)-N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 104868538
N-[[5-chloro-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66158284
N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 66158279

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-pyridin-2-ylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(5-chloro-2-pyridin-2-ylphenyl)methyl]propan-2-amine (CID 66160704) is N-[(5-chloro-2-pyridin-2-ylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-chloro-2-pyridin-2-ylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-chloro-2-pyridin-2-ylphenyl)methyl]propan-2-amine is CC(C)NCc1cc(Cl)ccc1-c1ccccn1.
What is the InChIKey of N-[(5-chloro-2-pyridin-2-ylphenyl)methyl]propan-2-amine?
The InChIKey is CCCMSYAAYCYQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-11(2)18-10-12-9-13(16)6-7-14(12)15-5-3-4-8-17-15/h3-9,11,18H,10H2,1-2H3.
What are the key properties of N-[(5-chloro-2-pyridin-2-ylphenyl)methyl]propan-2-amine?
N-[(5-chloro-2-pyridin-2-ylphenyl)methyl]propan-2-amine has a molecular weight of 260.77 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-pyridin-2-ylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 66160704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).