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

C16H17Cl2NO — CID 106867316

IUPAC1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-amine
SMILESCc1ccc(CC(N)COc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-11-2-3-12(16(18)8-11)9-14(19)10-20-15-6-4-13(17)5-7-15/h2-8,14H,9-10,19H2,1H3
InChIKeyNRHPOZDPEKMQHW-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.25
Rot. Bonds5

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

1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-amine (PubChem CID 106867316) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-amine
PubChem CID106867316
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-amine
SMILESCc1ccc(CC(N)COc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-11-2-3-12(16(18)8-11)9-14(19)10-20-15-6-4-13(17)5-7-15/h2-8,14H,9-10,19H2,1H3
InChIKeyNRHPOZDPEKMQHW-UHFFFAOYSA-N
XLogP4.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 106868107
1-(4-chlorophenoxy)-3-(2-chlorophenyl)propan-2-amine
CID 105096248
1-(2-chloro-4-methylphenyl)-3-propan-2-yloxypropan-2-amine
CID 106867926
1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-amine
CID 105131753
1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride
CID 162376791
1-(4-chlorophenoxy)-3-(2-fluorophenyl)propan-2-amine
CID 105090089
1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine
CID 106868091
1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine
CID 105101373
1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-amine
CID 106867257
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 82027704
1-(2-chloro-4-methylphenyl)-3,4-dimethylpentan-2-amine
CID 106866564
1-(4-bromo-2-chlorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 105126618

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-amine (CID 106867316) is 1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-amine is Cc1ccc(CC(N)COc2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-amine?
The InChIKey is NRHPOZDPEKMQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-11-2-3-12(16(18)8-11)9-14(19)10-20-15-6-4-13(17)5-7-15/h2-8,14H,9-10,19H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-amine?
1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-amine has a molecular weight of 310.22 g/mol, XLogP of 4.25, 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-(4-chlorophenoxy)propan-2-amine is sourced from PubChem (CID 106867316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).