1-(4-chloro-2,5-dimethoxyphenyl)heptan-4-amine

C15H24ClNO2 — CID 83943152

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)heptan-4-amine
SMILESCCCC(N)CCCc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C15H24ClNO2/c1-4-6-12(17)8-5-7-11-9-15(19-3)13(16)10-14(11)18-2/h9-10,12H,4-8,17H2,1-3H3
InChIKeyIUVQPGCZJMTZDC-UHFFFAOYSA-N
MW285.81 g/mol
LogP3.81
Rot. Bonds8

About 1-(4-chloro-2,5-dimethoxyphenyl)heptan-4-amine

1-(4-chloro-2,5-dimethoxyphenyl)heptan-4-amine (PubChem CID 83943152) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)heptan-4-amine.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)heptan-4-amine
PubChem CID83943152
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)heptan-4-amine
SMILESCCCC(N)CCCc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C15H24ClNO2/c1-4-6-12(17)8-5-7-11-9-15(19-3)13(16)10-14(11)18-2/h9-10,12H,4-8,17H2,1-3H3
InChIKeyIUVQPGCZJMTZDC-UHFFFAOYSA-N
XLogP3.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine
CID 83943404
6-(5-chloro-2-methoxy-4-methylphenyl)hexan-3-amine
CID 83937511
1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine
CID 83927771
1-(3,5-dichloro-4-methoxyphenyl)heptan-4-amine
CID 83928598
4-amino-1-(5-chloro-2,4-dimethoxyphenyl)heptan-3-ol
CID 83943375
1-(2,5-dichloro-4-methoxyphenyl)heptan-1-amine
CID 114752658
1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine
CID 165123636
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798
1-(4,5-diethoxy-2-fluorophenyl)heptan-4-amine
CID 83923067
2-amino-5-(5-chloro-2-methoxy-4-methylphenyl)pentanoic acid
CID 112519884
1-(3,4-dimethylphenyl)heptan-4-amine
CID 64503666
2-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]oxirane
CID 83943215

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)heptan-4-amine?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)heptan-4-amine (CID 83943152) is 1-(4-chloro-2,5-dimethoxyphenyl)heptan-4-amine.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)heptan-4-amine?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)heptan-4-amine is CCCC(N)CCCc1cc(OC)c(Cl)cc1OC.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)heptan-4-amine?
The InChIKey is IUVQPGCZJMTZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-4-6-12(17)8-5-7-11-9-15(19-3)13(16)10-14(11)18-2/h9-10,12H,4-8,17H2,1-3H3.
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)heptan-4-amine?
1-(4-chloro-2,5-dimethoxyphenyl)heptan-4-amine has a molecular weight of 285.81 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethoxyphenyl)heptan-4-amine is sourced from PubChem (CID 83943152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).