1-[3-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]butan-2-amine

C17H21ClN2O — CID 102878225

IUPAC1-[3-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(Cl)c1OCc1cncc(C)c1
InChIInChI=1S/C17H21ClN2O/c1-3-15(19)8-14-5-4-6-16(18)17(14)21-11-13-7-12(2)9-20-10-13/h4-7,9-10,15H,3,8,11,19H2,1-2H3
InChIKeySEKYQHMXYNSZIZ-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.90
Rot. Bonds6

About 1-[3-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]butan-2-amine

1-[3-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]butan-2-amine (PubChem CID 102878225) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-[3-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]butan-2-amine
PubChem CID102878225
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name1-[3-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(Cl)c1OCc1cncc(C)c1
InChIInChI=1S/C17H21ClN2O/c1-3-15(19)8-14-5-4-6-16(18)17(14)21-11-13-7-12(2)9-20-10-13/h4-7,9-10,15H,3,8,11,19H2,1-2H3
InChIKeySEKYQHMXYNSZIZ-UHFFFAOYSA-N
XLogP3.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2-aminobutyl)-6-chlorophenoxy]methyl]phenol
CID 115958442
1-[3-chloro-2-[(4-iodophenyl)methoxy]phenyl]butan-2-amine
CID 115958466
1-[3-fluoro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
CID 102878226
1-[3-chloro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine
CID 115982371
1-[3-chloro-2-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]butan-2-amine
CID 115958488
1-[3-chloro-2-(2,2-difluoroethoxy)phenyl]butan-2-amine
CID 112615794
2-[2-(2-aminobutyl)-6-chlorophenoxy]acetonitrile
CID 112615753
1-[3-chloro-2-(2-methylidenebutoxy)phenyl]butan-2-amine
CID 112615747
5-[2-(2-aminobutyl)-6-chlorophenoxy]pentanenitrile
CID 112615742
[3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine
CID 112607698
1-[2-[(3-bromophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958219
2-[2-chloro-6-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 102878213

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[3-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]butan-2-amine (CID 102878225) is 1-[3-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[3-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1cccc(Cl)c1OCc1cncc(C)c1.
What is the InChIKey of 1-[3-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]butan-2-amine?
The InChIKey is SEKYQHMXYNSZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-3-15(19)8-14-5-4-6-16(18)17(14)21-11-13-7-12(2)9-20-10-13/h4-7,9-10,15H,3,8,11,19H2,1-2H3.
What are the key properties of 1-[3-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]butan-2-amine?
1-[3-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]butan-2-amine has a molecular weight of 304.82 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 102878225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).