1-(2,5-dichloro-4-methoxyphenyl)heptan-1-amine

C14H21Cl2NO — CID 114752658

IUPAC1-(2,5-dichloro-4-methoxyphenyl)heptan-1-amine
SMILESCCCCCCC(N)c1cc(Cl)c(OC)cc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-3-4-5-6-7-13(17)10-8-12(16)14(18-2)9-11(10)15/h8-9,13H,3-7,17H2,1-2H3
InChIKeyYPVILWRHQYCRQX-UHFFFAOYSA-N
MW290.23 g/mol
LogP4.97
Rot. Bonds7

About 1-(2,5-dichloro-4-methoxyphenyl)heptan-1-amine

1-(2,5-dichloro-4-methoxyphenyl)heptan-1-amine (PubChem CID 114752658) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-(2,5-dichloro-4-methoxyphenyl)heptan-1-amine.

Molecular Properties

Compound Name1-(2,5-dichloro-4-methoxyphenyl)heptan-1-amine
PubChem CID114752658
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name1-(2,5-dichloro-4-methoxyphenyl)heptan-1-amine
SMILESCCCCCCC(N)c1cc(Cl)c(OC)cc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-3-4-5-6-7-13(17)10-8-12(16)14(18-2)9-11(10)15/h8-9,13H,3-7,17H2,1-2H3
InChIKeyYPVILWRHQYCRQX-UHFFFAOYSA-N
XLogP4.97
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 ≤ 54.97
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

1-(4-chloro-3-methoxyphenyl)decan-1-amine
CID 105006970
1-(2-methoxy-4-methylphenyl)undecan-1-amine
CID 106791391
6-amino-6-(2-chloro-4,5-dimethoxyphenyl)hexanoic acid
CID 43447011
(1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171211119
1-(3-bromo-5-chloro-2-methoxyphenyl)decan-1-amine
CID 65447812
1-(4-chloro-2-fluoro-5-methoxyphenyl)butan-1-amine
CID 83988368
1-(2-methoxy-5-methylphenyl)undecan-1-amine
CID 115845828
1-(2-methoxy-5-methylphenyl)decan-1-amine
CID 65449338
1-(5-bromo-4-fluoro-2-methoxyphenyl)nonan-1-amine
CID 103394461
(1R)-1-(2,6-dimethoxy-4-methylphenyl)hexan-1-amine
CID 171215923
1-(1-bromo-2-propylpentyl)-2,5-dichloro-4-methoxybenzene
CID 82987273
1-(3-chloro-4-methoxyphenyl)pentan-1-amine
CID 43130948

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-4-methoxyphenyl)heptan-1-amine?
The IUPAC name of 1-(2,5-dichloro-4-methoxyphenyl)heptan-1-amine (CID 114752658) is 1-(2,5-dichloro-4-methoxyphenyl)heptan-1-amine.
What is the SMILES notation for 1-(2,5-dichloro-4-methoxyphenyl)heptan-1-amine?
The canonical SMILES for 1-(2,5-dichloro-4-methoxyphenyl)heptan-1-amine is CCCCCCC(N)c1cc(Cl)c(OC)cc1Cl.
What is the InChIKey of 1-(2,5-dichloro-4-methoxyphenyl)heptan-1-amine?
The InChIKey is YPVILWRHQYCRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-3-4-5-6-7-13(17)10-8-12(16)14(18-2)9-11(10)15/h8-9,13H,3-7,17H2,1-2H3.
What are the key properties of 1-(2,5-dichloro-4-methoxyphenyl)heptan-1-amine?
1-(2,5-dichloro-4-methoxyphenyl)heptan-1-amine has a molecular weight of 290.23 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-4-methoxyphenyl)heptan-1-amine is sourced from PubChem (CID 114752658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).