1-(2-chloro-4-methylphenyl)-3-propan-2-yloxypropan-2-amine

C13H20ClNO — CID 106867926

IUPAC1-(2-chloro-4-methylphenyl)-3-propan-2-yloxypropan-2-amine
SMILESCc1ccc(CC(N)COC(C)C)c(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-9(2)16-8-12(15)7-11-5-4-10(3)6-13(11)14/h4-6,9,12H,7-8,15H2,1-3H3
InChIKeyQZYMCNYUZNGFNA-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.94
Rot. Bonds5

About 1-(2-chloro-4-methylphenyl)-3-propan-2-yloxypropan-2-amine

1-(2-chloro-4-methylphenyl)-3-propan-2-yloxypropan-2-amine (PubChem CID 106867926) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-propan-2-yloxypropan-2-amine
PubChem CID106867926
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(2-chloro-4-methylphenyl)-3-propan-2-yloxypropan-2-amine
SMILESCc1ccc(CC(N)COC(C)C)c(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-9(2)16-8-12(15)7-11-5-4-10(3)6-13(11)14/h4-6,9,12H,7-8,15H2,1-3H3
InChIKeyQZYMCNYUZNGFNA-UHFFFAOYSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-amine
CID 106867316
2-[2-amino-3-(2-chloro-4-methylphenyl)propoxy]isoindole-1,3-dione
CID 162376731
1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride
CID 162376791
1-(2-chloro-4-methylphenyl)-3,4-dimethylpentan-2-amine
CID 106866564
1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine
CID 106868091
1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-amine
CID 106867257
5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine
CID 106870188
1-(2-chloro-4-methylphenyl)-5-ethoxypentan-2-amine
CID 106866285
2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine
CID 106867704
(2S)-2-amino-3-(2-chloro-4-methylphenyl)propanoic acid;hydrochloride
CID 155822679
2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine
CID 106866447
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106866944

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-propan-2-yloxypropan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-propan-2-yloxypropan-2-amine (CID 106867926) is 1-(2-chloro-4-methylphenyl)-3-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-propan-2-yloxypropan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-propan-2-yloxypropan-2-amine is Cc1ccc(CC(N)COC(C)C)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-propan-2-yloxypropan-2-amine?
The InChIKey is QZYMCNYUZNGFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-9(2)16-8-12(15)7-11-5-4-10(3)6-13(11)14/h4-6,9,12H,7-8,15H2,1-3H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-propan-2-yloxypropan-2-amine?
1-(2-chloro-4-methylphenyl)-3-propan-2-yloxypropan-2-amine has a molecular weight of 241.76 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 106867926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).