1-(3,5-dichloro-4-methoxyphenyl)heptan-4-amine

C14H21Cl2NO — CID 83928598

IUPAC1-(3,5-dichloro-4-methoxyphenyl)heptan-4-amine
SMILESCCCC(N)CCCc1cc(Cl)c(OC)c(Cl)c1
InChIInChI=1S/C14H21Cl2NO/c1-3-5-11(17)7-4-6-10-8-12(15)14(18-2)13(16)9-10/h8-9,11H,3-7,17H2,1-2H3
InChIKeyHADVCBDQPVVNGX-UHFFFAOYSA-N
MW290.23 g/mol
LogP4.45
Rot. Bonds7

About 1-(3,5-dichloro-4-methoxyphenyl)heptan-4-amine

1-(3,5-dichloro-4-methoxyphenyl)heptan-4-amine (PubChem CID 83928598) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-methoxyphenyl)heptan-4-amine.

Molecular Properties

Compound Name1-(3,5-dichloro-4-methoxyphenyl)heptan-4-amine
PubChem CID83928598
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name1-(3,5-dichloro-4-methoxyphenyl)heptan-4-amine
SMILESCCCC(N)CCCc1cc(Cl)c(OC)c(Cl)c1
InChIInChI=1S/C14H21Cl2NO/c1-3-5-11(17)7-4-6-10-8-12(15)14(18-2)13(16)9-10/h8-9,11H,3-7,17H2,1-2H3
InChIKeyHADVCBDQPVVNGX-UHFFFAOYSA-N
XLogP4.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichloro-4-methoxyphenyl)butan-1-amine
CID 82550774
1-(4-chloro-2,5-dimethoxyphenyl)heptan-4-amine
CID 83943152
3-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine
CID 84783186
8-(4-methoxyphenyl)octan-4-amine
CID 65442846
1-amino-4-(3,5-dichloro-4-methoxyphenyl)butan-2-ol
CID 83928675
1-(2,4,6-trimethylphenyl)heptan-4-amine
CID 64502731
2-[2-(3,5-dichloro-4-methoxyphenyl)ethyl]propane-1,3-diol
CID 83928638
1-(3,4-dimethylphenyl)heptan-4-amine
CID 64503666
4-(4-aminoheptyl)aniline
CID 83928416
3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine
CID 82161696
1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine
CID 83943404
1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine
CID 83927771

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-methoxyphenyl)heptan-4-amine?
The IUPAC name of 1-(3,5-dichloro-4-methoxyphenyl)heptan-4-amine (CID 83928598) is 1-(3,5-dichloro-4-methoxyphenyl)heptan-4-amine.
What is the SMILES notation for 1-(3,5-dichloro-4-methoxyphenyl)heptan-4-amine?
The canonical SMILES for 1-(3,5-dichloro-4-methoxyphenyl)heptan-4-amine is CCCC(N)CCCc1cc(Cl)c(OC)c(Cl)c1.
What is the InChIKey of 1-(3,5-dichloro-4-methoxyphenyl)heptan-4-amine?
The InChIKey is HADVCBDQPVVNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-3-5-11(17)7-4-6-10-8-12(15)14(18-2)13(16)9-10/h8-9,11H,3-7,17H2,1-2H3.
What are the key properties of 1-(3,5-dichloro-4-methoxyphenyl)heptan-4-amine?
1-(3,5-dichloro-4-methoxyphenyl)heptan-4-amine has a molecular weight of 290.23 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-methoxyphenyl)heptan-4-amine is sourced from PubChem (CID 83928598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).