6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine

C15H24ClNO — CID 104544671

IUPAC6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine
SMILESCCNCCCCCCc1cc(Cl)ccc1OC
InChIInChI=1S/C15H24ClNO/c1-3-17-11-7-5-4-6-8-13-12-14(16)9-10-15(13)18-2/h9-10,12,17H,3-8,11H2,1-2H3
InChIKeyCDDIYMRHBIWOHJ-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.06
Rot. Bonds9

About 6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine

6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine (PubChem CID 104544671) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine
PubChem CID104544671
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine
SMILESCCNCCCCCCc1cc(Cl)ccc1OC
InChIInChI=1S/C15H24ClNO/c1-3-17-11-7-5-4-6-8-13-12-14(16)9-10-15(13)18-2/h9-10,12,17H,3-8,11H2,1-2H3
InChIKeyCDDIYMRHBIWOHJ-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.06
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

5-(5-tert-butyl-2-methoxyphenyl)-N-ethylpentan-1-amine
CID 70956835
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CID 65305689
4-(5-chloro-2-methoxyphenyl)butan-1-ol
CID 64513423
4-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 81023645
5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine
CID 143286054
N-(2-chloroethyl)-2-(5-chloro-2-methoxyphenyl)ethanamine
CID 115215017
2-[2-(5-chloro-2-methoxyphenyl)ethylamino]ethanethiol
CID 115224188
5-(5-chloro-2-methoxyphenyl)pentanoic acid
CID 93186212
6-(2-ethoxy-5-methylphenyl)-N-ethylhexan-1-amine
CID 65306553
5-(5-chloro-2-methoxyphenyl)-N-methylpentan-2-amine
CID 64503076
4-chloro-1-methoxy-2-(7-propan-2-ylsulfonylheptyl)benzene
CID 160748743
N-ethyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine
CID 65303375

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine?
The IUPAC name of 6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine (CID 104544671) is 6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine.
What is the SMILES notation for 6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine?
The canonical SMILES for 6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine is CCNCCCCCCc1cc(Cl)ccc1OC.
What is the InChIKey of 6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine?
The InChIKey is CDDIYMRHBIWOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-3-17-11-7-5-4-6-8-13-12-14(16)9-10-15(13)18-2/h9-10,12,17H,3-8,11H2,1-2H3.
What are the key properties of 6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine?
6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine is sourced from PubChem (CID 104544671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).