1-amino-5-(3-chlorophenoxy)pentan-3-ol

C11H16ClNO2 — CID 112508122

IUPAC1-amino-5-(3-chlorophenoxy)pentan-3-ol
SMILESNCCC(O)CCOc1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO2/c12-9-2-1-3-11(8-9)15-7-5-10(14)4-6-13/h1-3,8,10,14H,4-7,13H2
InChIKeyUKOJUKXVGRBBQU-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.82
Rot. Bonds6

About 1-amino-5-(3-chlorophenoxy)pentan-3-ol

1-amino-5-(3-chlorophenoxy)pentan-3-ol (PubChem CID 112508122) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-amino-5-(3-chlorophenoxy)pentan-3-ol.

Molecular Properties

Compound Name1-amino-5-(3-chlorophenoxy)pentan-3-ol
PubChem CID112508122
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name1-amino-5-(3-chlorophenoxy)pentan-3-ol
SMILESNCCC(O)CCOc1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO2/c12-9-2-1-3-11(8-9)15-7-5-10(14)4-6-13/h1-3,8,10,14H,4-7,13H2
InChIKeyUKOJUKXVGRBBQU-UHFFFAOYSA-N
XLogP1.82
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenoxy)propan-1-amine;ethane
CID 156874591
1-(3-chlorophenoxy)-4-methoxybutan-2-ol
CID 117236754
2-amino-4-(3-chlorophenoxy)butanamide
CID 174561608
5-(3-chlorophenoxy)pentan-1-amine;hydrochloride
CID 86262412
1-(3-chlorophenyl)-4-phenoxybutan-2-ol
CID 60798521
4-(3-chlorophenoxy)-2-phenylbutan-1-amine
CID 82138848
1-amino-5-(3,5-dimethylphenoxy)pentan-3-ol
CID 112508033
1-(3-chlorophenoxy)pentan-2-ol
CID 105083098
1,5-diphenoxypentan-3-ol
CID 5314309
2-[4-(3-chlorophenoxy)phenoxy]ethanamine
CID 19881384
3-(3-chlorophenoxy)propanamide
CID 23512799
1-(2,4-dichlorophenyl)-4-phenoxybutan-2-ol
CID 62620850

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-(3-chlorophenoxy)pentan-3-ol?
The IUPAC name of 1-amino-5-(3-chlorophenoxy)pentan-3-ol (CID 112508122) is 1-amino-5-(3-chlorophenoxy)pentan-3-ol.
What is the SMILES notation for 1-amino-5-(3-chlorophenoxy)pentan-3-ol?
The canonical SMILES for 1-amino-5-(3-chlorophenoxy)pentan-3-ol is NCCC(O)CCOc1cccc(Cl)c1.
What is the InChIKey of 1-amino-5-(3-chlorophenoxy)pentan-3-ol?
The InChIKey is UKOJUKXVGRBBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c12-9-2-1-3-11(8-9)15-7-5-10(14)4-6-13/h1-3,8,10,14H,4-7,13H2.
What are the key properties of 1-amino-5-(3-chlorophenoxy)pentan-3-ol?
1-amino-5-(3-chlorophenoxy)pentan-3-ol has a molecular weight of 229.71 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-(3-chlorophenoxy)pentan-3-ol is sourced from PubChem (CID 112508122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).