3-[(2,3-dichlorophenyl)methylamino]pentan-1-ol

C12H17Cl2NO — CID 115644707

IUPAC3-[(2,3-dichlorophenyl)methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C12H17Cl2NO/c1-2-10(6-7-16)15-8-9-4-3-5-11(13)12(9)14/h3-5,10,15-16H,2,6-8H2,1H3
InChIKeyNTUJUPZVWSLBAG-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.24
Rot. Bonds6

About 3-[(2,3-dichlorophenyl)methylamino]pentan-1-ol

3-[(2,3-dichlorophenyl)methylamino]pentan-1-ol (PubChem CID 115644707) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenyl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name3-[(2,3-dichlorophenyl)methylamino]pentan-1-ol
PubChem CID115644707
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name3-[(2,3-dichlorophenyl)methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C12H17Cl2NO/c1-2-10(6-7-16)15-8-9-4-3-5-11(13)12(9)14/h3-5,10,15-16H,2,6-8H2,1H3
InChIKeyNTUJUPZVWSLBAG-UHFFFAOYSA-N
XLogP3.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol
CID 40726436
3-[(2,3-dichlorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 107093336
2-[2-[(1-hydroxypentan-3-ylamino)methyl]phenyl]acetic acid
CID 113495710
(2S)-2-[(3-chloro-2-fluorophenyl)methylamino]butan-1-ol
CID 96910008
2,4-dichloro-6-[(1-hydroxypentan-3-ylamino)methyl]phenol
CID 111449211
3-[(2-pyrrolidin-1-ylphenyl)methylamino]pentan-1-ol
CID 115644780
3-[(2,6-dimethylphenyl)methylamino]pentan-1-ol
CID 115897848
3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)pentan-1-ol
CID 111449228
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]pentan-1-ol
CID 113495705
1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine
CID 43434316
3-[(2,3-dichlorophenyl)methylsulfanyl]butan-1-ol
CID 107091780
1-(2,3-dichlorophenyl)-N-propylbutan-2-amine
CID 107308434

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichlorophenyl)methylamino]pentan-1-ol?
The IUPAC name of 3-[(2,3-dichlorophenyl)methylamino]pentan-1-ol (CID 115644707) is 3-[(2,3-dichlorophenyl)methylamino]pentan-1-ol.
What is the SMILES notation for 3-[(2,3-dichlorophenyl)methylamino]pentan-1-ol?
The canonical SMILES for 3-[(2,3-dichlorophenyl)methylamino]pentan-1-ol is CCC(CCO)NCc1cccc(Cl)c1Cl.
What is the InChIKey of 3-[(2,3-dichlorophenyl)methylamino]pentan-1-ol?
The InChIKey is NTUJUPZVWSLBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-2-10(6-7-16)15-8-9-4-3-5-11(13)12(9)14/h3-5,10,15-16H,2,6-8H2,1H3.
What are the key properties of 3-[(2,3-dichlorophenyl)methylamino]pentan-1-ol?
3-[(2,3-dichlorophenyl)methylamino]pentan-1-ol has a molecular weight of 262.18 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dichlorophenyl)methylamino]pentan-1-ol is sourced from PubChem (CID 115644707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).