N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine

C15H18N2 — CID 54911631

IUPACN-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C15H18N2/c1-12(2)17-10-13-5-7-14(8-6-13)15-4-3-9-16-11-15/h3-9,11-12,17H,10H2,1-2H3
InChIKeyQKKGSXOSKGZAEQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.25
Rot. Bonds4

About N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine

N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine (PubChem CID 54911631) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine
PubChem CID54911631
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C15H18N2/c1-12(2)17-10-13-5-7-14(8-6-13)15-4-3-9-16-11-15/h3-9,11-12,17H,10H2,1-2H3
InChIKeyQKKGSXOSKGZAEQ-UHFFFAOYSA-N
XLogP3.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine
CID 82540634
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
2-phenyl-2-[(4-pyridin-3-ylphenyl)methylamino]acetamide
CID 75374761
3-azulen-6-ylpyridine
CID 86232079
(Z)-2-methyl-4-(methylamino)-3-[(4-pyridin-3-ylphenyl)methylamino]but-3-en-2-ol
CID 129076519
N-[[4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]propan-2-amine
CID 102708697
N-[(5-pyridin-3-ylfuran-2-yl)methyl]propan-2-amine
CID 103625236
cyclopenta[c]azepine
CID 638010
N-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine
CID 155119456
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 60708436
4-methoxy-N-[(4-pyridin-3-ylphenyl)methyl]pyrimidin-2-amine
CID 133332712
N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine
CID 78971710

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine (CID 54911631) is N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine is CC(C)NCc1ccc(-c2cccnc2)cc1.
What is the InChIKey of N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine?
The InChIKey is QKKGSXOSKGZAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-12(2)17-10-13-5-7-14(8-6-13)15-4-3-9-16-11-15/h3-9,11-12,17H,10H2,1-2H3.
What are the key properties of N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine?
N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine has a molecular weight of 226.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 54911631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).