2-(aminomethyl)-4-(2,3-dichlorophenyl)pentan-1-ol

C12H17Cl2NO — CID 83924659

IUPAC2-(aminomethyl)-4-(2,3-dichlorophenyl)pentan-1-ol
SMILESCC(CC(CN)CO)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H17Cl2NO/c1-8(5-9(6-15)7-16)10-3-2-4-11(13)12(10)14/h2-4,8-9,16H,5-7,15H2,1H3
InChIKeyBPHOYWCPEYNQQU-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.05
Rot. Bonds5

About 2-(aminomethyl)-4-(2,3-dichlorophenyl)pentan-1-ol

2-(aminomethyl)-4-(2,3-dichlorophenyl)pentan-1-ol (PubChem CID 83924659) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(2,3-dichlorophenyl)pentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(2,3-dichlorophenyl)pentan-1-ol
PubChem CID83924659
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name2-(aminomethyl)-4-(2,3-dichlorophenyl)pentan-1-ol
SMILESCC(CC(CN)CO)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H17Cl2NO/c1-8(5-9(6-15)7-16)10-3-2-4-11(13)12(10)14/h2-4,8-9,16H,5-7,15H2,1H3
InChIKeyBPHOYWCPEYNQQU-UHFFFAOYSA-N
XLogP3.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4-(2,3-dichlorophenyl)pentanoic acid
CID 69269444
5-(2,3-dichlorophenyl)hexane-2,3-diol
CID 83924753
6-(2,3-dichlorophenyl)heptane-3,4-diol
CID 83924756
5-amino-4-(2,3-dichlorophenyl)pentan-2-ol
CID 81422224
(2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol
CID 95001596
2-(aminomethyl)-1-(2,3-dichlorophenyl)-4-methylpentan-1-ol
CID 65187721
(1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine
CID 94343262
5-(2,3-dichlorophenyl)hexan-2-amine
CID 83924701
2-[5-amino-4-(aminomethyl)pentan-2-yl]phenol
CID 83930477
2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol
CID 83941192
2-[4-(aminomethyl)-5-hydroxypentan-2-yl]-3-methylphenol
CID 83923738
1-(2,3-dichlorophenyl)-3-methylbutan-1-ol
CID 62789609

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(2,3-dichlorophenyl)pentan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(2,3-dichlorophenyl)pentan-1-ol (CID 83924659) is 2-(aminomethyl)-4-(2,3-dichlorophenyl)pentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(2,3-dichlorophenyl)pentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(2,3-dichlorophenyl)pentan-1-ol is CC(CC(CN)CO)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(aminomethyl)-4-(2,3-dichlorophenyl)pentan-1-ol?
The InChIKey is BPHOYWCPEYNQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-8(5-9(6-15)7-16)10-3-2-4-11(13)12(10)14/h2-4,8-9,16H,5-7,15H2,1H3.
What are the key properties of 2-(aminomethyl)-4-(2,3-dichlorophenyl)pentan-1-ol?
2-(aminomethyl)-4-(2,3-dichlorophenyl)pentan-1-ol has a molecular weight of 262.18 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(2,3-dichlorophenyl)pentan-1-ol is sourced from PubChem (CID 83924659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).