1-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)propan-2-amine

C15H17ClN2 — CID 43694798

IUPAC1-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)propan-2-amine
SMILESCC(Cc1cccc(Cl)c1)NCc1ccncc1
InChIInChI=1S/C15H17ClN2/c1-12(9-14-3-2-4-15(16)10-14)18-11-13-5-7-17-8-6-13/h2-8,10,12,18H,9,11H2,1H3
InChIKeyFJUOUYALBGOFAX-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.46
Rot. Bonds5

About 1-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)propan-2-amine

1-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)propan-2-amine (PubChem CID 43694798) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)propan-2-amine
PubChem CID43694798
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name1-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)propan-2-amine
SMILESCC(Cc1cccc(Cl)c1)NCc1ccncc1
InChIInChI=1S/C15H17ClN2/c1-12(9-14-3-2-4-15(16)10-14)18-11-13-5-7-17-8-6-13/h2-8,10,12,18H,9,11H2,1H3
InChIKeyFJUOUYALBGOFAX-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[1-(3-chlorophenyl)propan-2-ylamino]methyl]benzonitrile
CID 43694814
(2S)-N-(pyridin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 42563452
1-(3-chlorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63050519
1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]propan-2-amine
CID 43694721
1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine
CID 65025963
N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61222821
1-(3-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine
CID 43694725
(2S)-2-N-[(3-chlorophenyl)methyl]propane-1,2-diamine
CID 104867783
1-(3-chlorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine
CID 62742896
1-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 115633676
N-[(3-chlorophenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639887
1-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)propan-2-amine
CID 63697757

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)propan-2-amine (CID 43694798) is 1-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)propan-2-amine is CC(Cc1cccc(Cl)c1)NCc1ccncc1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)propan-2-amine?
The InChIKey is FJUOUYALBGOFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-12(9-14-3-2-4-15(16)10-14)18-11-13-5-7-17-8-6-13/h2-8,10,12,18H,9,11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)propan-2-amine?
1-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)propan-2-amine has a molecular weight of 260.77 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 43694798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).