2-(3-aminopropyl)-4-chloro-5-propan-2-ylphenol

C12H18ClNO — CID 117328035

IUPAC2-(3-aminopropyl)-4-chloro-5-propan-2-ylphenol
SMILESCC(C)c1cc(O)c(CCCN)cc1Cl
InChIInChI=1S/C12H18ClNO/c1-8(2)10-7-12(15)9(4-3-5-14)6-11(10)13/h6-8,15H,3-5,14H2,1-2H3
InChIKeyZHAIZLOAONOZOR-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.06
Rot. Bonds4

About 2-(3-aminopropyl)-4-chloro-5-propan-2-ylphenol

2-(3-aminopropyl)-4-chloro-5-propan-2-ylphenol (PubChem CID 117328035) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-(3-aminopropyl)-4-chloro-5-propan-2-ylphenol.

Molecular Properties

Compound Name2-(3-aminopropyl)-4-chloro-5-propan-2-ylphenol
PubChem CID117328035
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-(3-aminopropyl)-4-chloro-5-propan-2-ylphenol
SMILESCC(C)c1cc(O)c(CCCN)cc1Cl
InChIInChI=1S/C12H18ClNO/c1-8(2)10-7-12(15)9(4-3-5-14)6-11(10)13/h6-8,15H,3-5,14H2,1-2H3
InChIKeyZHAIZLOAONOZOR-UHFFFAOYSA-N
XLogP3.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminopropyl)-4-bromo-5-propan-2-ylphenol
CID 117433020
5-(3-aminopropyl)-2-chloro-4-methylphenol
CID 84775584
4-chloro-2-[(1-hydroxycyclopropyl)methyl]-5-propan-2-ylphenol
CID 117354218
2-(2-aminoethyl)-4-chloro-5-ethylphenol
CID 83880601
5-butyl-4-chloro-2-propan-2-ylphenol
CID 118092137
4-bromo-2-(3-hydroxypropyl)-5-propan-2-ylphenol
CID 117435110
4-butyl-6-chlorobenzene-1,3-diol
CID 23195020
4-(2,4-difluoro-5-propan-2-ylphenyl)butan-1-amine
CID 117327284
4-chloro-2-(piperidin-2-ylmethyl)-5-propan-2-ylphenol
CID 117423339
2-(4-aminobutyl)-4,5-difluorophenol
CID 117289972
3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine
CID 95447725
3-(3-aminopropyl)naphthalen-2-ol
CID 117290164

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-4-chloro-5-propan-2-ylphenol?
The IUPAC name of 2-(3-aminopropyl)-4-chloro-5-propan-2-ylphenol (CID 117328035) is 2-(3-aminopropyl)-4-chloro-5-propan-2-ylphenol.
What is the SMILES notation for 2-(3-aminopropyl)-4-chloro-5-propan-2-ylphenol?
The canonical SMILES for 2-(3-aminopropyl)-4-chloro-5-propan-2-ylphenol is CC(C)c1cc(O)c(CCCN)cc1Cl.
What is the InChIKey of 2-(3-aminopropyl)-4-chloro-5-propan-2-ylphenol?
The InChIKey is ZHAIZLOAONOZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-8(2)10-7-12(15)9(4-3-5-14)6-11(10)13/h6-8,15H,3-5,14H2,1-2H3.
What are the key properties of 2-(3-aminopropyl)-4-chloro-5-propan-2-ylphenol?
2-(3-aminopropyl)-4-chloro-5-propan-2-ylphenol has a molecular weight of 227.73 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-4-chloro-5-propan-2-ylphenol is sourced from PubChem (CID 117328035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).