1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine

C16H26ClNO2 — CID 62601956

IUPAC1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine
SMILESCCCCCC(NCC)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C16H26ClNO2/c1-5-7-8-9-14(18-6-2)12-10-13(17)16(20-4)15(11-12)19-3/h10-11,14,18H,5-9H2,1-4H3
InChIKeyAASSPMSXMOZFJL-UHFFFAOYSA-N
MW299.84 g/mol
LogP4.59
Rot. Bonds9

About 1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine

1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine (PubChem CID 62601956) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine
PubChem CID62601956
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine
SMILESCCCCCC(NCC)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C16H26ClNO2/c1-5-7-8-9-14(18-6-2)12-10-13(17)16(20-4)15(11-12)19-3/h10-11,14,18H,5-9H2,1-4H3
InChIKeyAASSPMSXMOZFJL-UHFFFAOYSA-N
XLogP4.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4,5-dimethoxyphenyl)-N-propylhexan-1-amine
CID 63417042
1-(3-chloro-4,5-dimethoxyphenyl)hexylhydrazine
CID 105204626
1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 60956072
1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine
CID 104804947
1-(3-chloro-4-methoxyphenyl)-N-ethylpentan-1-amine
CID 43488519
1-(3-chloro-4,5-dimethoxyphenyl)-N-propylbut-3-en-1-amine
CID 61380659
1-(3-chloro-4,5-dimethoxyphenyl)-3-ethyl-N-methylpentan-1-amine
CID 82923305
1-(3-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 79179774
1-(3-chloro-4-iodophenyl)-N-ethyldecan-1-amine
CID 103214873
1-(3-chloro-4,5-dimethoxyphenyl)-2-ethoxy-N-methylethanamine
CID 79575404
1-(3-chloro-4,5-dimethoxyphenyl)-2-cyclopropyl-N-methylethanamine
CID 64906585
1-(4-chlorophenyl)-N-ethylhexan-1-amine
CID 43488947

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine?
The IUPAC name of 1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine (CID 62601956) is 1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine.
What is the SMILES notation for 1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine?
The canonical SMILES for 1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine is CCCCCC(NCC)c1cc(Cl)c(OC)c(OC)c1.
What is the InChIKey of 1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine?
The InChIKey is AASSPMSXMOZFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-5-7-8-9-14(18-6-2)12-10-13(17)16(20-4)15(11-12)19-3/h10-11,14,18H,5-9H2,1-4H3.
What are the key properties of 1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine?
1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine has a molecular weight of 299.84 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine is sourced from PubChem (CID 62601956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).