1-(2-chloro-4-methylphenyl)-3-(oxan-2-yl)propan-2-amine

C15H22ClNO — CID 106866342

IUPAC1-(2-chloro-4-methylphenyl)-3-(oxan-2-yl)propan-2-amine
SMILESCc1ccc(CC(N)CC2CCCCO2)c(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-11-5-6-12(15(16)8-11)9-13(17)10-14-4-2-3-7-18-14/h5-6,8,13-14H,2-4,7,9-10,17H2,1H3
InChIKeyMQQQWXRTXSMOQB-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.48
Rot. Bonds4

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

1-(2-chloro-4-methylphenyl)-3-(oxan-2-yl)propan-2-amine (PubChem CID 106866342) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-(oxan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-(oxan-2-yl)propan-2-amine
PubChem CID106866342
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-(2-chloro-4-methylphenyl)-3-(oxan-2-yl)propan-2-amine
SMILESCc1ccc(CC(N)CC2CCCCO2)c(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-11-5-6-12(15(16)8-11)9-13(17)10-14-4-2-3-7-18-14/h5-6,8,13-14H,2-4,7,9-10,17H2,1H3
InChIKeyMQQQWXRTXSMOQB-UHFFFAOYSA-N
XLogP3.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propan-2-amine
CID 62600088
1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine
CID 114347642
1-(2-chloro-4-methylphenyl)-3-(oxolan-3-yl)propan-2-amine
CID 106868732
[2-(2-chloro-4-methylphenyl)-1-(oxan-2-yl)ethyl]hydrazine
CID 106868654
2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine
CID 106866447
1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine
CID 113391539
2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine
CID 106866830
1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 55085081
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 106866575
2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine
CID 106867704
[1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine
CID 105267279
1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride
CID 162376791

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(oxan-2-yl)propan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(oxan-2-yl)propan-2-amine (CID 106866342) is 1-(2-chloro-4-methylphenyl)-3-(oxan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-(oxan-2-yl)propan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-(oxan-2-yl)propan-2-amine is Cc1ccc(CC(N)CC2CCCCO2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-(oxan-2-yl)propan-2-amine?
The InChIKey is MQQQWXRTXSMOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11-5-6-12(15(16)8-11)9-13(17)10-14-4-2-3-7-18-14/h5-6,8,13-14H,2-4,7,9-10,17H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-(oxan-2-yl)propan-2-amine?
1-(2-chloro-4-methylphenyl)-3-(oxan-2-yl)propan-2-amine has a molecular weight of 267.80 g/mol, XLogP of 3.48, 4 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-(oxan-2-yl)propan-2-amine is sourced from PubChem (CID 106866342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).