2-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)propan-2-amine

C14H22ClNO2 — CID 117432460

IUPAC2-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)propan-2-amine
SMILESCOc1c(Cl)cc(C(C)(C)N)c(C(C)C)c1OC
InChIInChI=1S/C14H22ClNO2/c1-8(2)11-9(14(3,4)16)7-10(15)12(17-5)13(11)18-6/h7-8H,16H2,1-6H3
InChIKeyLOGSMJDGWZMRSC-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.67
Rot. Bonds4

About 2-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)propan-2-amine

2-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)propan-2-amine (PubChem CID 117432460) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)propan-2-amine
PubChem CID117432460
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name2-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)propan-2-amine
SMILESCOc1c(Cl)cc(C(C)(C)N)c(C(C)C)c1OC
InChIInChI=1S/C14H22ClNO2/c1-8(2)11-9(14(3,4)16)7-10(15)12(17-5)13(11)18-6/h7-8H,16H2,1-6H3
InChIKeyLOGSMJDGWZMRSC-UHFFFAOYSA-N
XLogP3.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-amine
CID 117398199
2-(5-chloro-2,4-difluoro-3-methoxyphenyl)propan-2-amine
CID 117343901
2-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
CID 117372512
6-(2-aminopropan-2-yl)-4-chloro-2-fluoro-3-methoxyphenol
CID 84796633
2-(3-chloro-5-ethyl-2-methoxyphenyl)propan-2-amine
CID 117327991
2-(3-bromo-2-methoxy-5-propan-2-ylphenyl)propan-2-amine
CID 117461457
1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)-2-methylpropan-2-amine
CID 117460468
1-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117460366
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-2-amine
CID 117361507
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-amine
CID 117335610
2-(2-chloro-5-methoxy-4-methylphenyl)propan-2-amine
CID 84783245
1,5-ditert-butyl-3-chloro-2-methoxybenzene
CID 154097245

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)propan-2-amine?
The IUPAC name of 2-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)propan-2-amine (CID 117432460) is 2-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)propan-2-amine.
What is the SMILES notation for 2-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)propan-2-amine?
The canonical SMILES for 2-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)propan-2-amine is COc1c(Cl)cc(C(C)(C)N)c(C(C)C)c1OC.
What is the InChIKey of 2-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)propan-2-amine?
The InChIKey is LOGSMJDGWZMRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-8(2)11-9(14(3,4)16)7-10(15)12(17-5)13(11)18-6/h7-8H,16H2,1-6H3.
What are the key properties of 2-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)propan-2-amine?
2-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)propan-2-amine has a molecular weight of 271.79 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)propan-2-amine is sourced from PubChem (CID 117432460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).