4-(5-chloro-2-methoxy-3,6-dimethylphenyl)heptan-1-amine

C16H26ClNO — CID 83940441

IUPAC4-(5-chloro-2-methoxy-3,6-dimethylphenyl)heptan-1-amine
SMILESCCCC(CCCN)c1c(C)c(Cl)cc(C)c1OC
InChIInChI=1S/C16H26ClNO/c1-5-7-13(8-6-9-18)15-12(3)14(17)10-11(2)16(15)19-4/h10,13H,5-9,18H2,1-4H3
InChIKeyFHRRCJUCJYTNAF-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.59
Rot. Bonds7

About 4-(5-chloro-2-methoxy-3,6-dimethylphenyl)heptan-1-amine

4-(5-chloro-2-methoxy-3,6-dimethylphenyl)heptan-1-amine (PubChem CID 83940441) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxy-3,6-dimethylphenyl)heptan-1-amine.

Molecular Properties

Compound Name4-(5-chloro-2-methoxy-3,6-dimethylphenyl)heptan-1-amine
PubChem CID83940441
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name4-(5-chloro-2-methoxy-3,6-dimethylphenyl)heptan-1-amine
SMILESCCCC(CCCN)c1c(C)c(Cl)cc(C)c1OC
InChIInChI=1S/C16H26ClNO/c1-5-7-13(8-6-9-18)15-12(3)14(17)10-11(2)16(15)19-4/h10,13H,5-9,18H2,1-4H3
InChIKeyFHRRCJUCJYTNAF-UHFFFAOYSA-N
XLogP4.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chloro-2,5-dimethyl-6-propoxyphenyl)heptan-1-amine
CID 83940695
6-(5-chloro-2-methoxy-3,6-dimethylphenyl)octan-3-one
CID 83940459
2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)propyl]propane-1,3-diamine
CID 83940446
4-(5-chloro-2-methoxy-3,6-dimethylphenyl)pentanenitrile
CID 83940496
2-[2-(5-chloro-2-methoxy-3,6-dimethylphenyl)butyl]-3-ethyloxirane
CID 83940530
4-(6-chloro-3-methoxy-2,4-dimethylphenyl)butan-1-amine
CID 117356666
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361457
4-(3,5-dichloro-2-propoxyphenyl)heptan-1-amine
CID 83941299
4-(4-chlorophenyl)heptan-1-amine
CID 83931131
3-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine
CID 84783186
4-(3,4-dimethylphenyl)heptan-1-amine
CID 83927883
4-(3-methoxyphenyl)heptan-1-amine
CID 83928909

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxy-3,6-dimethylphenyl)heptan-1-amine?
The IUPAC name of 4-(5-chloro-2-methoxy-3,6-dimethylphenyl)heptan-1-amine (CID 83940441) is 4-(5-chloro-2-methoxy-3,6-dimethylphenyl)heptan-1-amine.
What is the SMILES notation for 4-(5-chloro-2-methoxy-3,6-dimethylphenyl)heptan-1-amine?
The canonical SMILES for 4-(5-chloro-2-methoxy-3,6-dimethylphenyl)heptan-1-amine is CCCC(CCCN)c1c(C)c(Cl)cc(C)c1OC.
What is the InChIKey of 4-(5-chloro-2-methoxy-3,6-dimethylphenyl)heptan-1-amine?
The InChIKey is FHRRCJUCJYTNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-5-7-13(8-6-9-18)15-12(3)14(17)10-11(2)16(15)19-4/h10,13H,5-9,18H2,1-4H3.
What are the key properties of 4-(5-chloro-2-methoxy-3,6-dimethylphenyl)heptan-1-amine?
4-(5-chloro-2-methoxy-3,6-dimethylphenyl)heptan-1-amine has a molecular weight of 283.84 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxy-3,6-dimethylphenyl)heptan-1-amine is sourced from PubChem (CID 83940441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).