N-[(3,4-dichlorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine

C15H16Cl2N2O — CID 51051733

IUPACN-[(3,4-dichlorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
SMILESClc1ccc(CNCCCOc2ccccn2)cc1Cl
InChIInChI=1S/C15H16Cl2N2O/c16-13-6-5-12(10-14(13)17)11-18-7-3-9-20-15-4-1-2-8-19-15/h1-2,4-6,8,10,18H,3,7,9,11H2
InChIKeyJYAJMIDCKAZLAV-UHFFFAOYSA-N
MW311.21 g/mol
LogP3.95
Rot. Bonds7

About N-[(3,4-dichlorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine

N-[(3,4-dichlorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine (PubChem CID 51051733) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
PubChem CID51051733
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
SMILESClc1ccc(CNCCCOc2ccccn2)cc1Cl
InChIInChI=1S/C15H16Cl2N2O/c16-13-6-5-12(10-14(13)17)11-18-7-3-9-20-15-4-1-2-8-19-15/h1-2,4-6,8,10,18H,3,7,9,11H2
InChIKeyJYAJMIDCKAZLAV-UHFFFAOYSA-N
XLogP3.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chloro-4-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132897324
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526310
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 66526021
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 51370500
N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66525916
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132892888
N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 66526093
3-pyridin-2-yloxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 66526320
N-methyl-5-[(3-pyridin-2-yloxypropylamino)methyl]pyrimidin-2-amine
CID 102536227
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526077
N-[(3,4-dichlorophenyl)methyl]-3-ethoxypropan-1-amine
CID 4719417
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526211

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine (CID 51051733) is N-[(3,4-dichlorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine is Clc1ccc(CNCCCOc2ccccn2)cc1Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine?
The InChIKey is JYAJMIDCKAZLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c16-13-6-5-12(10-14(13)17)11-18-7-3-9-20-15-4-1-2-8-19-15/h1-2,4-6,8,10,18H,3,7,9,11H2.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine?
N-[(3,4-dichlorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine has a molecular weight of 311.21 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine is sourced from PubChem (CID 51051733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).