1-amino-4-(5-chloro-2-propoxyphenyl)pentan-2-ol

C14H22ClNO2 — CID 83933454

IUPAC1-amino-4-(5-chloro-2-propoxyphenyl)pentan-2-ol
SMILESCCCOc1ccc(Cl)cc1C(C)CC(O)CN
InChIInChI=1S/C14H22ClNO2/c1-3-6-18-14-5-4-11(15)8-13(14)10(2)7-12(17)9-16/h4-5,8,10,12,17H,3,6-7,9,16H2,1-2H3
InChIKeyTVGRWJKDJJPZEO-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.94
Rot. Bonds7

About 1-amino-4-(5-chloro-2-propoxyphenyl)pentan-2-ol

1-amino-4-(5-chloro-2-propoxyphenyl)pentan-2-ol (PubChem CID 83933454) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-amino-4-(5-chloro-2-propoxyphenyl)pentan-2-ol.

Molecular Properties

Compound Name1-amino-4-(5-chloro-2-propoxyphenyl)pentan-2-ol
PubChem CID83933454
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-amino-4-(5-chloro-2-propoxyphenyl)pentan-2-ol
SMILESCCCOc1ccc(Cl)cc1C(C)CC(O)CN
InChIInChI=1S/C14H22ClNO2/c1-3-6-18-14-5-4-11(15)8-13(14)10(2)7-12(17)9-16/h4-5,8,10,12,17H,3,6-7,9,16H2,1-2H3
InChIKeyTVGRWJKDJJPZEO-UHFFFAOYSA-N
XLogP2.94
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-(5-fluoro-2-propoxyphenyl)pentan-2-ol
CID 83944229
5-(5-chloro-2-propoxyphenyl)hexane-2,3-diol
CID 83933462
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392
4-(5-chloro-2-ethoxyphenyl)pentane-1,2-diol
CID 83933329
1-amino-4-(5-chloro-2-ethoxyphenyl)hexan-2-ol
CID 83933326
2-amino-1-(5-chloro-2-propoxyphenyl)-4-(methylamino)butan-1-ol
CID 83933377
(1S)-1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533695
(1S)-1-(5-chloro-2-decoxyphenyl)ethanol
CID 78944253
1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533676
(1S)-1-(5-chloro-2-hexoxyphenyl)ethanol
CID 78931549
(1R)-1-(2-butoxy-5-chlorophenyl)ethanamine
CID 63366602
2-(aminomethyl)-4-(5-fluoro-2-propoxyphenyl)pentan-1-ol
CID 83944138

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(5-chloro-2-propoxyphenyl)pentan-2-ol?
The IUPAC name of 1-amino-4-(5-chloro-2-propoxyphenyl)pentan-2-ol (CID 83933454) is 1-amino-4-(5-chloro-2-propoxyphenyl)pentan-2-ol.
What is the SMILES notation for 1-amino-4-(5-chloro-2-propoxyphenyl)pentan-2-ol?
The canonical SMILES for 1-amino-4-(5-chloro-2-propoxyphenyl)pentan-2-ol is CCCOc1ccc(Cl)cc1C(C)CC(O)CN.
What is the InChIKey of 1-amino-4-(5-chloro-2-propoxyphenyl)pentan-2-ol?
The InChIKey is TVGRWJKDJJPZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-3-6-18-14-5-4-11(15)8-13(14)10(2)7-12(17)9-16/h4-5,8,10,12,17H,3,6-7,9,16H2,1-2H3.
What are the key properties of 1-amino-4-(5-chloro-2-propoxyphenyl)pentan-2-ol?
1-amino-4-(5-chloro-2-propoxyphenyl)pentan-2-ol has a molecular weight of 271.79 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(5-chloro-2-propoxyphenyl)pentan-2-ol is sourced from PubChem (CID 83933454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).