1-(2-chlorophenyl)-1-(3-ethylphenoxy)butan-2-amine

C18H22ClNO — CID 63460803

IUPAC1-(2-chlorophenyl)-1-(3-ethylphenoxy)butan-2-amine
SMILESCCc1cccc(OC(c2ccccc2Cl)C(N)CC)c1
InChIInChI=1S/C18H22ClNO/c1-3-13-8-7-9-14(12-13)21-18(17(20)4-2)15-10-5-6-11-16(15)19/h5-12,17-18H,3-4,20H2,1-2H3
InChIKeyMUZWGHICMMPYJZ-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.76
Rot. Bonds6

About 1-(2-chlorophenyl)-1-(3-ethylphenoxy)butan-2-amine

1-(2-chlorophenyl)-1-(3-ethylphenoxy)butan-2-amine (PubChem CID 63460803) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(3-ethylphenoxy)butan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(3-ethylphenoxy)butan-2-amine
PubChem CID63460803
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-(2-chlorophenyl)-1-(3-ethylphenoxy)butan-2-amine
SMILESCCc1cccc(OC(c2ccccc2Cl)C(N)CC)c1
InChIInChI=1S/C18H22ClNO/c1-3-13-8-7-9-14(12-13)21-18(17(20)4-2)15-10-5-6-11-16(15)19/h5-12,17-18H,3-4,20H2,1-2H3
InChIKeyMUZWGHICMMPYJZ-UHFFFAOYSA-N
XLogP4.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-methylphenoxy)-1-(2-chlorophenyl)butan-2-amine
CID 63459345
1-(4-bromophenoxy)-1-(2-chlorophenyl)butan-2-amine
CID 63458294
1-(2-bromophenyl)-1-(4-chloro-3-methylphenoxy)butan-2-amine
CID 63459343
1-(2-chlorophenyl)-1-(2-iodophenoxy)butan-2-amine
CID 63459761
1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63457460
1-(2-chlorophenyl)-1-(3-fluorophenoxy)propan-2-amine
CID 55022859
1-(2-bromophenyl)-1-(2,3-dichlorophenoxy)butan-2-amine
CID 63459898
1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460308
1-(2-chlorophenyl)-1-(2-methylpentoxy)butan-2-amine
CID 103282985
1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine
CID 83135800
(1S)-1-(2-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81375061
1-[2-chloro-6-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63815753

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(3-ethylphenoxy)butan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-1-(3-ethylphenoxy)butan-2-amine (CID 63460803) is 1-(2-chlorophenyl)-1-(3-ethylphenoxy)butan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(3-ethylphenoxy)butan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-1-(3-ethylphenoxy)butan-2-amine is CCc1cccc(OC(c2ccccc2Cl)C(N)CC)c1.
What is the InChIKey of 1-(2-chlorophenyl)-1-(3-ethylphenoxy)butan-2-amine?
The InChIKey is MUZWGHICMMPYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-3-13-8-7-9-14(12-13)21-18(17(20)4-2)15-10-5-6-11-16(15)19/h5-12,17-18H,3-4,20H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-1-(3-ethylphenoxy)butan-2-amine?
1-(2-chlorophenyl)-1-(3-ethylphenoxy)butan-2-amine has a molecular weight of 303.83 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(3-ethylphenoxy)butan-2-amine is sourced from PubChem (CID 63460803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).