4-amino-1-(2-chlorophenyl)heptan-3-ol

C13H20ClNO — CID 83924269

IUPAC4-amino-1-(2-chlorophenyl)heptan-3-ol
SMILESCCCC(N)C(O)CCc1ccccc1Cl
InChIInChI=1S/C13H20ClNO/c1-2-5-12(15)13(16)9-8-10-6-3-4-7-11(10)14/h3-4,6-7,12-13,16H,2,5,8-9,15H2,1H3
InChIKeyASFJZWHIMJNQIY-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.76
Rot. Bonds6

About 4-amino-1-(2-chlorophenyl)heptan-3-ol

4-amino-1-(2-chlorophenyl)heptan-3-ol (PubChem CID 83924269) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 4-amino-1-(2-chlorophenyl)heptan-3-ol.

Molecular Properties

Compound Name4-amino-1-(2-chlorophenyl)heptan-3-ol
PubChem CID83924269
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name4-amino-1-(2-chlorophenyl)heptan-3-ol
SMILESCCCC(N)C(O)CCc1ccccc1Cl
InChIInChI=1S/C13H20ClNO/c1-2-5-12(15)13(16)9-8-10-6-3-4-7-11(10)14/h3-4,6-7,12-13,16H,2,5,8-9,15H2,1H3
InChIKeyASFJZWHIMJNQIY-UHFFFAOYSA-N
XLogP2.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(2,6-dichlorophenyl)heptan-3-ol
CID 83924985
4-amino-1-(2-chlorophenyl)pentan-3-ol
CID 83924263
4-amino-1-(2,4-dichlorophenyl)heptan-3-ol
CID 83928392
5-amino-2-(2-chlorophenyl)octan-4-ol
CID 83924268
4-amino-1-(5-chloro-2,4-dimethoxyphenyl)heptan-3-ol
CID 83943375
2-amino-4-(2-chlorophenyl)butan-1-ol
CID 56656008
(2S)-1-(2-chlorophenyl)pentan-2-amine
CID 104932386
6-(2-chlorophenyl)-2-methylhexan-3-ol
CID 64516556
4-amino-1-thiophen-3-ylheptan-3-ol
CID 83927744
1-(2,3-dichlorophenyl)hexan-3-amine
CID 64504833
4-amino-1-(2-bromo-4,5-dimethylphenyl)heptan-3-ol
CID 83921957
1-(2-bromophenyl)heptane-3,4-diol
CID 83924175

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-chlorophenyl)heptan-3-ol?
The IUPAC name of 4-amino-1-(2-chlorophenyl)heptan-3-ol (CID 83924269) is 4-amino-1-(2-chlorophenyl)heptan-3-ol.
What is the SMILES notation for 4-amino-1-(2-chlorophenyl)heptan-3-ol?
The canonical SMILES for 4-amino-1-(2-chlorophenyl)heptan-3-ol is CCCC(N)C(O)CCc1ccccc1Cl.
What is the InChIKey of 4-amino-1-(2-chlorophenyl)heptan-3-ol?
The InChIKey is ASFJZWHIMJNQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-2-5-12(15)13(16)9-8-10-6-3-4-7-11(10)14/h3-4,6-7,12-13,16H,2,5,8-9,15H2,1H3.
What are the key properties of 4-amino-1-(2-chlorophenyl)heptan-3-ol?
4-amino-1-(2-chlorophenyl)heptan-3-ol has a molecular weight of 241.76 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-chlorophenyl)heptan-3-ol is sourced from PubChem (CID 83924269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).