3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine

C18H22ClNO — CID 105084432

IUPAC3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine
SMILESCCNC(Cc1ccccc1)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C18H22ClNO/c1-3-20-18(12-15-8-5-4-6-9-15)14(2)21-17-11-7-10-16(19)13-17/h4-11,13-14,18,20H,3,12H2,1-2H3
InChIKeyJYXYSLZFDSLTCQ-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.33
Rot. Bonds7

About 3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine

3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine (PubChem CID 105084432) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine
PubChem CID105084432
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine
SMILESCCNC(Cc1ccccc1)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C18H22ClNO/c1-3-20-18(12-15-8-5-4-6-9-15)14(2)21-17-11-7-10-16(19)13-17/h4-11,13-14,18,20H,3,12H2,1-2H3
InChIKeyJYXYSLZFDSLTCQ-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenoxy)-N-ethyl-1-propoxybutan-2-amine
CID 105165268
3-(3-chlorophenoxy)-N-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105159384
4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine
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4-(3-chlorophenoxy)-N-ethyl-1-thiophen-2-ylpentan-3-amine
CID 105150171
N-benzyl-2-(3-chlorophenoxy)propan-1-amine
CID 55053571
3-(3-chlorophenyl)-N-ethyl-1-methoxy-1-phenylpropan-2-amine
CID 116773119
2-(3-chlorophenoxy)-1-cyclopentyl-N-ethylpropan-1-amine
CID 105080697
2-(3-chlorophenoxy)-5-ethyl-N-propylheptan-3-amine
CID 105176676
2-(3-chlorophenoxy)-N-ethyl-6-methoxy-4-methylhexan-3-amine
CID 105184925
(2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid
CID 100524120
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119336981
2-(3-chlorophenoxy)-5-methyl-N-propylhex-5-en-3-amine
CID 105162926

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine?
The IUPAC name of 3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine (CID 105084432) is 3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine.
What is the SMILES notation for 3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine?
The canonical SMILES for 3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine is CCNC(Cc1ccccc1)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine?
The InChIKey is JYXYSLZFDSLTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-3-20-18(12-15-8-5-4-6-9-15)14(2)21-17-11-7-10-16(19)13-17/h4-11,13-14,18,20H,3,12H2,1-2H3.
What are the key properties of 3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine?
3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine has a molecular weight of 303.83 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine is sourced from PubChem (CID 105084432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).