N-[[3-chloro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine

C17H21ClN2O — CID 115953214

IUPACN-[[3-chloro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(Cl)c1OCc1cccc(C)n1
InChIInChI=1S/C17H21ClN2O/c1-3-10-19-11-14-7-5-9-16(18)17(14)21-12-15-8-4-6-13(2)20-15/h4-9,19H,3,10-12H2,1-2H3
InChIKeyOXXZHTKCEZRCDN-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.12
Rot. Bonds7

About N-[[3-chloro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine

N-[[3-chloro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 115953214) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[[3-chloro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-chloro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID115953214
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[[3-chloro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(Cl)c1OCc1cccc(C)n1
InChIInChI=1S/C17H21ClN2O/c1-3-10-19-11-14-7-5-9-16(18)17(14)21-12-15-8-4-6-13(2)20-15/h4-9,19H,3,10-12H2,1-2H3
InChIKeyOXXZHTKCEZRCDN-UHFFFAOYSA-N
XLogP4.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.12
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-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 115953089
1-(2-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60961132
N-[[3-chloro-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115954879
N-[(2-but-2-ynoxy-3-chlorophenyl)methyl]propan-1-amine
CID 112609473
N-[(3-chloro-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 112609432
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]propan-1-amine
CID 17206158
4-[2-chloro-6-(propylaminomethyl)phenoxy]butanenitrile
CID 112609440
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]propan-1-amine;hydrochloride
CID 17206157
N-[[3-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61390714
3,5-dichloro-4-[(6-methyl-2-pyridinyl)methoxy]phenol
CID 18504624
N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952978
N-[[6-[(3,4-dichlorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908243

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-chloro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine (CID 115953214) is N-[[3-chloro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-chloro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-chloro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1cccc(Cl)c1OCc1cccc(C)n1.
What is the InChIKey of N-[[3-chloro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is OXXZHTKCEZRCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-3-10-19-11-14-7-5-9-16(18)17(14)21-12-15-8-4-6-13(2)20-15/h4-9,19H,3,10-12H2,1-2H3.
What are the key properties of N-[[3-chloro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine?
N-[[3-chloro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 304.82 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 115953214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).