1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine

C14H21Cl2NO — CID 62604166

IUPAC1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
SMILESCCNC(CCOCC)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H21Cl2NO/c1-3-17-12(7-8-18-4-2)9-11-5-6-13(15)14(16)10-11/h5-6,10,12,17H,3-4,7-9H2,1-2H3
InChIKeyBHWUASKFELKBSM-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.94
Rot. Bonds8

About 1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine

1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine (PubChem CID 62604166) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
PubChem CID62604166
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
SMILESCCNC(CCOCC)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H21Cl2NO/c1-3-17-12(7-8-18-4-2)9-11-5-6-13(15)14(16)10-11/h5-6,10,12,17H,3-4,7-9H2,1-2H3
InChIKeyBHWUASKFELKBSM-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,2-dichloro-4-(2-chloro-4-ethoxybutyl)benzene
CID 63047371
1-(3,4-dichlorophenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105136549
1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 112688260
1-(3,4-dichlorophenyl)-N-ethylnon-8-en-2-amine
CID 107008986
[1-(3,4-dichlorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102929753
1-(2,3-dihydro-1H-inden-5-yl)-5-ethoxy-N-ethylpentan-2-amine
CID 105152368
4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine
CID 105177818
1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 65143571
N-[(3,4-dichlorophenyl)methyl]-3-ethoxypropan-1-amine
CID 4719417
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 105137424
1-cyclopropyl-3-(3,4-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723664
1-(3,4-dichlorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798644

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine (CID 62604166) is 1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine is CCNC(CCOCC)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine?
The InChIKey is BHWUASKFELKBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-3-17-12(7-8-18-4-2)9-11-5-6-13(15)14(16)10-11/h5-6,10,12,17H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine?
1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine has a molecular weight of 290.23 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine is sourced from PubChem (CID 62604166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).