4-amino-3-(5-chloro-2-methoxyphenyl)-1-cyclopropylbutan-2-ol

C14H20ClNO2 — CID 65189958

IUPAC4-amino-3-(5-chloro-2-methoxyphenyl)-1-cyclopropylbutan-2-ol
SMILESCOc1ccc(Cl)cc1C(CN)C(O)CC1CC1
InChIInChI=1S/C14H20ClNO2/c1-18-14-5-4-10(15)7-11(14)12(8-16)13(17)6-9-2-3-9/h4-5,7,9,12-13,17H,2-3,6,8,16H2,1H3
InChIKeyBXXRKJUQXUAQSQ-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.55
Rot. Bonds6

About 4-amino-3-(5-chloro-2-methoxyphenyl)-1-cyclopropylbutan-2-ol

4-amino-3-(5-chloro-2-methoxyphenyl)-1-cyclopropylbutan-2-ol (PubChem CID 65189958) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 4-amino-3-(5-chloro-2-methoxyphenyl)-1-cyclopropylbutan-2-ol.

Molecular Properties

Compound Name4-amino-3-(5-chloro-2-methoxyphenyl)-1-cyclopropylbutan-2-ol
PubChem CID65189958
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name4-amino-3-(5-chloro-2-methoxyphenyl)-1-cyclopropylbutan-2-ol
SMILESCOc1ccc(Cl)cc1C(CN)C(O)CC1CC1
InChIInChI=1S/C14H20ClNO2/c1-18-14-5-4-10(15)7-11(14)12(8-16)13(17)6-9-2-3-9/h4-5,7,9,12-13,17H,2-3,6,8,16H2,1H3
InChIKeyBXXRKJUQXUAQSQ-UHFFFAOYSA-N
XLogP2.55
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65189959
(1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171234667
1-amino-2-(5-chloro-2-methoxyphenyl)octan-3-ol
CID 65190622
4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol
CID 65190623
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol
CID 171265620
3-amino-2-(5-chloro-2-methoxyphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65190567
1-(5-chloro-2-methoxyphenyl)-2-(thian-4-yl)ethanol
CID 105092179
3-amino-2-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65190060
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethanol;hydrochloride
CID 171265627
3-amino-1-cyclopropyl-2-(2-methoxy-5-methylphenyl)propan-1-ol
CID 65185180
2-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetic acid
CID 112515035
(5-chloro-2-methoxyphenyl)-cyclooctylmethanol
CID 80603904

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(5-chloro-2-methoxyphenyl)-1-cyclopropylbutan-2-ol?
The IUPAC name of 4-amino-3-(5-chloro-2-methoxyphenyl)-1-cyclopropylbutan-2-ol (CID 65189958) is 4-amino-3-(5-chloro-2-methoxyphenyl)-1-cyclopropylbutan-2-ol.
What is the SMILES notation for 4-amino-3-(5-chloro-2-methoxyphenyl)-1-cyclopropylbutan-2-ol?
The canonical SMILES for 4-amino-3-(5-chloro-2-methoxyphenyl)-1-cyclopropylbutan-2-ol is COc1ccc(Cl)cc1C(CN)C(O)CC1CC1.
What is the InChIKey of 4-amino-3-(5-chloro-2-methoxyphenyl)-1-cyclopropylbutan-2-ol?
The InChIKey is BXXRKJUQXUAQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-18-14-5-4-10(15)7-11(14)12(8-16)13(17)6-9-2-3-9/h4-5,7,9,12-13,17H,2-3,6,8,16H2,1H3.
What are the key properties of 4-amino-3-(5-chloro-2-methoxyphenyl)-1-cyclopropylbutan-2-ol?
4-amino-3-(5-chloro-2-methoxyphenyl)-1-cyclopropylbutan-2-ol has a molecular weight of 269.77 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(5-chloro-2-methoxyphenyl)-1-cyclopropylbutan-2-ol is sourced from PubChem (CID 65189958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).