(1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride

C13H21Cl2NO — CID 171211119

IUPAC(1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@@H](N)c1ccc(Cl)c(OC)c1.Cl
InChIInChI=1S/C13H20ClNO.ClH/c1-3-4-5-6-12(15)10-7-8-11(14)13(9-10)16-2;/h7-9,12H,3-6,15H2,1-2H3;1H/t12-;/m1./s1
InChIKeyBDGHRHFMPMBGMA-UTONKHPSSA-N
MW278.22 g/mol
LogP4.35
Rot. Bonds6

About (1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride

(1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride (PubChem CID 171211119) has the molecular formula C13H21Cl2NO and a molecular weight of 278.22 g/mol. Its IUPAC name is (1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride
PubChem CID171211119
Molecular FormulaC13H21Cl2NO
Molecular Weight278.22 g/mol
Exact Mass277.10
IUPAC Name(1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@@H](N)c1ccc(Cl)c(OC)c1.Cl
InChIInChI=1S/C13H20ClNO.ClH/c1-3-4-5-6-12(15)10-7-8-11(14)13(9-10)16-2;/h7-9,12H,3-6,15H2,1-2H3;1H/t12-;/m1./s1
InChIKeyBDGHRHFMPMBGMA-UTONKHPSSA-N
XLogP4.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 54.35
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
(1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171211117
(1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171211107
(1S)-1-(4-chloro-3-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230706
(4S)-4-amino-4-(4-chloro-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171230755
1-(4-chloro-3-methoxyphenyl)decan-1-ol
CID 115817958
1-(4-chloro-3-methoxyphenyl)octan-1-ol
CID 79697126
1-(3-chloro-4-methoxyphenyl)pentan-1-amine
CID 43130948
1-(3-methoxy-4-methylphenyl)decan-1-amine
CID 115831533
1-(4-fluoro-3-methoxyphenyl)decan-1-amine
CID 115831321
(1S)-1-(3-bromo-4-chlorophenyl)hexan-1-amine;hydrochloride
CID 171222559
1-(4-methoxy-3-methylphenyl)decan-1-amine
CID 65448006

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride (CID 171211119) is (1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride is CCCCC[C@@H](N)c1ccc(Cl)c(OC)c1.Cl.
What is the InChIKey of (1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride?
The InChIKey is BDGHRHFMPMBGMA-UTONKHPSSA-N. The full InChI is InChI=1S/C13H20ClNO.ClH/c1-3-4-5-6-12(15)10-7-8-11(14)13(9-10)16-2;/h7-9,12H,3-6,15H2,1-2H3;1H/t12-;/m1./s1.
What are the key properties of (1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride?
(1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride has a molecular weight of 278.22 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride is sourced from PubChem (CID 171211119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).