N-propyl-1-[3-(pyridin-3-ylmethyl)phenyl]propan-1-amine

C18H24N2 — CID 104736871

IUPACN-propyl-1-[3-(pyridin-3-ylmethyl)phenyl]propan-1-amine
SMILESCCCNC(CC)c1cccc(Cc2cccnc2)c1
InChIInChI=1S/C18H24N2/c1-3-10-20-18(4-2)17-9-5-7-15(13-17)12-16-8-6-11-19-14-16/h5-9,11,13-14,18,20H,3-4,10,12H2,1-2H3
InChIKeyGRJNKVHHVILWMS-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.12
Rot. Bonds7

About N-propyl-1-[3-(pyridin-3-ylmethyl)phenyl]propan-1-amine

N-propyl-1-[3-(pyridin-3-ylmethyl)phenyl]propan-1-amine (PubChem CID 104736871) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-propyl-1-[3-(pyridin-3-ylmethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-propyl-1-[3-(pyridin-3-ylmethyl)phenyl]propan-1-amine
PubChem CID104736871
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-propyl-1-[3-(pyridin-3-ylmethyl)phenyl]propan-1-amine
SMILESCCCNC(CC)c1cccc(Cc2cccnc2)c1
InChIInChI=1S/C18H24N2/c1-3-10-20-18(4-2)17-9-5-7-15(13-17)12-16-8-6-11-19-14-16/h5-9,11,13-14,18,20H,3-4,10,12H2,1-2H3
InChIKeyGRJNKVHHVILWMS-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-pyridin-3-yl-1-pyridin-4-ylethyl)propan-1-amine
CID 104736220
N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 107504138
N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 60818849
N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62791253
1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine
CID 104737019
1-(4-ethylphenyl)-N-(2-pyridin-3-ylethyl)propan-1-amine
CID 60913064
4-[1-(2-pyridin-3-ylethylamino)propyl]phenol
CID 60893733
N-[1-(3-chloro-4-methylphenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034419
N-[1-(furan-3-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 63949988
1-(4-methylphenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine
CID 105092564
N-[1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 79700355
3-(pyridin-3-ylmethyl)pyridine
CID 14762640

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[3-(pyridin-3-ylmethyl)phenyl]propan-1-amine?
The IUPAC name of N-propyl-1-[3-(pyridin-3-ylmethyl)phenyl]propan-1-amine (CID 104736871) is N-propyl-1-[3-(pyridin-3-ylmethyl)phenyl]propan-1-amine.
What is the SMILES notation for N-propyl-1-[3-(pyridin-3-ylmethyl)phenyl]propan-1-amine?
The canonical SMILES for N-propyl-1-[3-(pyridin-3-ylmethyl)phenyl]propan-1-amine is CCCNC(CC)c1cccc(Cc2cccnc2)c1.
What is the InChIKey of N-propyl-1-[3-(pyridin-3-ylmethyl)phenyl]propan-1-amine?
The InChIKey is GRJNKVHHVILWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-10-20-18(4-2)17-9-5-7-15(13-17)12-16-8-6-11-19-14-16/h5-9,11,13-14,18,20H,3-4,10,12H2,1-2H3.
What are the key properties of N-propyl-1-[3-(pyridin-3-ylmethyl)phenyl]propan-1-amine?
N-propyl-1-[3-(pyridin-3-ylmethyl)phenyl]propan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[3-(pyridin-3-ylmethyl)phenyl]propan-1-amine is sourced from PubChem (CID 104736871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).