N-[[3-(5-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine

C16H20N2 — CID 113297313

IUPACN-[[3-(5-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine
SMILESCc1cncc(-c2cccc(CNC(C)C)c2)c1
InChIInChI=1S/C16H20N2/c1-12(2)18-10-14-5-4-6-15(8-14)16-7-13(3)9-17-11-16/h4-9,11-12,18H,10H2,1-3H3
InChIKeySEQIARJBEVCPBT-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.56
Rot. Bonds4

About N-[[3-(5-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine

N-[[3-(5-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine (PubChem CID 113297313) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[[3-(5-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(5-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine
PubChem CID113297313
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-[[3-(5-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine
SMILESCc1cncc(-c2cccc(CNC(C)C)c2)c1
InChIInChI=1S/C16H20N2/c1-12(2)18-10-14-5-4-6-15(8-14)16-7-13(3)9-17-11-16/h4-9,11-12,18H,10H2,1-3H3
InChIKeySEQIARJBEVCPBT-UHFFFAOYSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(5-methyl-3-pyridinyl)phenyl]methylamino]acetaldehyde
CID 143831871
N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 115502487
N-[[3-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 61034457
N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine
CID 105408477
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 107514100
N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine
CID 116545401
N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine
CID 54911631
3-methyl-5-(5-pyridin-3-yl-3-pyridinyl)pyridine
CID 170233955
N-[[3-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 79732899
N-[(3-quinolin-2-ylphenyl)methyl]propan-2-amine
CID 116645094
N-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine
CID 114522593
N-[[3-(2,3-dichlorophenyl)phenyl]methyl]propan-2-amine
CID 63424152

Frequently Asked Questions

What is the IUPAC name of N-[[3-(5-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(5-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine (CID 113297313) is N-[[3-(5-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(5-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(5-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine is Cc1cncc(-c2cccc(CNC(C)C)c2)c1.
What is the InChIKey of N-[[3-(5-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine?
The InChIKey is SEQIARJBEVCPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12(2)18-10-14-5-4-6-15(8-14)16-7-13(3)9-17-11-16/h4-9,11-12,18H,10H2,1-3H3.
What are the key properties of N-[[3-(5-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine?
N-[[3-(5-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine has a molecular weight of 240.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(5-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 113297313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).