2-amino-1-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)ethanol

C12H16ClNO3 — CID 117397818

IUPAC2-amino-1-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)ethanol
SMILESCOc1cc(C(O)CN)cc(Cl)c1OC1CC1
InChIInChI=1S/C12H16ClNO3/c1-16-11-5-7(10(15)6-14)4-9(13)12(11)17-8-2-3-8/h4-5,8,10,15H,2-3,6,14H2,1H3
InChIKeyROGRBYFKMFSACS-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.88
Rot. Bonds5

About 2-amino-1-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)ethanol

2-amino-1-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)ethanol (PubChem CID 117397818) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-amino-1-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)ethanol
PubChem CID117397818
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name2-amino-1-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)ethanol
SMILESCOc1cc(C(O)CN)cc(Cl)c1OC1CC1
InChIInChI=1S/C12H16ClNO3/c1-16-11-5-7(10(15)6-14)4-9(13)12(11)17-8-2-3-8/h4-5,8,10,15H,2-3,6,14H2,1H3
InChIKeyROGRBYFKMFSACS-UHFFFAOYSA-N
XLogP1.88
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)butanoic acid
CID 117482648
2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)propan-1-ol
CID 117458643
2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine
CID 117483716
(3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol
CID 54878443
[3-chloro-5-methoxy-4-(oxan-4-yloxy)phenyl]methanamine
CID 63937215
3-chloro-4-cyclopentyloxy-5-methoxyphenol
CID 84703480
(3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol
CID 82931298
2-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)acetonitrile
CID 84798852
1-(3-chloro-4,5-dimethoxyphenyl)but-3-en-1-ol
CID 61380155
O-[(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]hydroxylamine
CID 117432318
2-amino-1-(3,4-dimethoxy-5-nitrophenyl)ethanol
CID 116987737
[1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropylethyl]hydrazine
CID 105204535

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)ethanol?
The IUPAC name of 2-amino-1-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)ethanol (CID 117397818) is 2-amino-1-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)ethanol?
The canonical SMILES for 2-amino-1-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)ethanol is COc1cc(C(O)CN)cc(Cl)c1OC1CC1.
What is the InChIKey of 2-amino-1-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)ethanol?
The InChIKey is ROGRBYFKMFSACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-16-11-5-7(10(15)6-14)4-9(13)12(11)17-8-2-3-8/h4-5,8,10,15H,2-3,6,14H2,1H3.
What are the key properties of 2-amino-1-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)ethanol?
2-amino-1-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)ethanol has a molecular weight of 257.72 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)ethanol is sourced from PubChem (CID 117397818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).