2-(2-chloro-4-methylphenoxy)-1-(4-ethylphenyl)propan-1-amine

C18H22ClNO — CID 63501091

IUPAC2-(2-chloro-4-methylphenoxy)-1-(4-ethylphenyl)propan-1-amine
SMILESCCc1ccc(C(N)C(C)Oc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C18H22ClNO/c1-4-14-6-8-15(9-7-14)18(20)13(3)21-17-10-5-12(2)11-16(17)19/h5-11,13,18H,4,20H2,1-3H3
InChIKeyOTVDCXOSOTZKKP-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.68
Rot. Bonds5

About 2-(2-chloro-4-methylphenoxy)-1-(4-ethylphenyl)propan-1-amine

2-(2-chloro-4-methylphenoxy)-1-(4-ethylphenyl)propan-1-amine (PubChem CID 63501091) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenoxy)-1-(4-ethylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenoxy)-1-(4-ethylphenyl)propan-1-amine
PubChem CID63501091
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name2-(2-chloro-4-methylphenoxy)-1-(4-ethylphenyl)propan-1-amine
SMILESCCc1ccc(C(N)C(C)Oc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C18H22ClNO/c1-4-14-6-8-15(9-7-14)18(20)13(3)21-17-10-5-12(2)11-16(17)19/h5-11,13,18H,4,20H2,1-3H3
InChIKeyOTVDCXOSOTZKKP-UHFFFAOYSA-N
XLogP4.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylphenoxy)pentan-3-amine
CID 62671098
1-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)butan-2-amine
CID 63459961
1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 115649377
(1S)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78938399
2-(2-chloro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine
CID 62671114
1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine
CID 62669549
2-(2-chloro-5-methylphenoxy)-1-(4-ethylphenyl)propan-1-one
CID 60623563
(1R)-1-(4-ethylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171211240
1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine
CID 62669709
[(4-ethylphenyl)-(2-methoxy-4-methylphenyl)methyl]hydrazine
CID 106794120
(1S)-1-[2-[(4-ethylphenyl)methoxy]-5-methylphenyl]ethanamine
CID 78936783
2-(3-chlorophenoxy)-1-(4-methylphenyl)propan-1-amine
CID 105092349

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenoxy)-1-(4-ethylphenyl)propan-1-amine?
The IUPAC name of 2-(2-chloro-4-methylphenoxy)-1-(4-ethylphenyl)propan-1-amine (CID 63501091) is 2-(2-chloro-4-methylphenoxy)-1-(4-ethylphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-chloro-4-methylphenoxy)-1-(4-ethylphenyl)propan-1-amine?
The canonical SMILES for 2-(2-chloro-4-methylphenoxy)-1-(4-ethylphenyl)propan-1-amine is CCc1ccc(C(N)C(C)Oc2ccc(C)cc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-4-methylphenoxy)-1-(4-ethylphenyl)propan-1-amine?
The InChIKey is OTVDCXOSOTZKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-4-14-6-8-15(9-7-14)18(20)13(3)21-17-10-5-12(2)11-16(17)19/h5-11,13,18H,4,20H2,1-3H3.
What are the key properties of 2-(2-chloro-4-methylphenoxy)-1-(4-ethylphenyl)propan-1-amine?
2-(2-chloro-4-methylphenoxy)-1-(4-ethylphenyl)propan-1-amine has a molecular weight of 303.83 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenoxy)-1-(4-ethylphenyl)propan-1-amine is sourced from PubChem (CID 63501091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).