1-amino-2-(3-chloro-4-propan-2-yloxyphenyl)propan-2-ol

C12H18ClNO2 — CID 82293995

IUPAC1-amino-2-(3-chloro-4-propan-2-yloxyphenyl)propan-2-ol
SMILESCC(C)Oc1ccc(C(C)(O)CN)cc1Cl
InChIInChI=1S/C12H18ClNO2/c1-8(2)16-11-5-4-9(6-10(11)13)12(3,15)7-14/h4-6,8,15H,7,14H2,1-3H3
InChIKeyCCTVUNDZDSLOFU-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.29
Rot. Bonds4

About 1-amino-2-(3-chloro-4-propan-2-yloxyphenyl)propan-2-ol

1-amino-2-(3-chloro-4-propan-2-yloxyphenyl)propan-2-ol (PubChem CID 82293995) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 1-amino-2-(3-chloro-4-propan-2-yloxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-(3-chloro-4-propan-2-yloxyphenyl)propan-2-ol
PubChem CID82293995
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name1-amino-2-(3-chloro-4-propan-2-yloxyphenyl)propan-2-ol
SMILESCC(C)Oc1ccc(C(C)(O)CN)cc1Cl
InChIInChI=1S/C12H18ClNO2/c1-8(2)16-11-5-4-9(6-10(11)13)12(3,15)7-14/h4-6,8,15H,7,14H2,1-3H3
InChIKeyCCTVUNDZDSLOFU-UHFFFAOYSA-N
XLogP2.29
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpentan-1-amine
CID 112519805
ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoate
CID 105426760
2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene
CID 124704375
ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoropropanoate
CID 105426766
2-(4-tert-butyl-2-chlorophenoxy)propanoic acid
CID 54793047
1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride
CID 17039441
3-chloro-4-propan-2-yloxybenzoic acid
CID 22597728
2-(3-chloro-4-propan-2-yloxyanilino)acetamide
CID 96674678
1-amino-2-(3-ethoxy-4-methoxyphenyl)propan-2-ol
CID 19358537
2-(3-chloro-4-propan-2-yloxyphenyl)-2-propan-2-ylhex-4-ynoic acid
CID 70446096
2-(3-chloro-4-ethoxyphenyl)-2,4-dimethylpentan-1-amine
CID 112519815
2-(3-chloro-4-ethoxyphenyl)propan-2-ol
CID 116963403

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-chloro-4-propan-2-yloxyphenyl)propan-2-ol?
The IUPAC name of 1-amino-2-(3-chloro-4-propan-2-yloxyphenyl)propan-2-ol (CID 82293995) is 1-amino-2-(3-chloro-4-propan-2-yloxyphenyl)propan-2-ol.
What is the SMILES notation for 1-amino-2-(3-chloro-4-propan-2-yloxyphenyl)propan-2-ol?
The canonical SMILES for 1-amino-2-(3-chloro-4-propan-2-yloxyphenyl)propan-2-ol is CC(C)Oc1ccc(C(C)(O)CN)cc1Cl.
What is the InChIKey of 1-amino-2-(3-chloro-4-propan-2-yloxyphenyl)propan-2-ol?
The InChIKey is CCTVUNDZDSLOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-8(2)16-11-5-4-9(6-10(11)13)12(3,15)7-14/h4-6,8,15H,7,14H2,1-3H3.
What are the key properties of 1-amino-2-(3-chloro-4-propan-2-yloxyphenyl)propan-2-ol?
1-amino-2-(3-chloro-4-propan-2-yloxyphenyl)propan-2-ol has a molecular weight of 243.73 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-chloro-4-propan-2-yloxyphenyl)propan-2-ol is sourced from PubChem (CID 82293995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).