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

C12H19Cl2NO — CID 171211117

IUPAC(1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1ccc(Cl)c(OC)c1.Cl
InChIInChI=1S/C12H18ClNO.ClH/c1-3-4-5-11(14)9-6-7-10(13)12(8-9)15-2;/h6-8,11H,3-5,14H2,1-2H3;1H/t11-;/m1./s1
InChIKeyPXKCCQJIHFAIQW-RFVHGSKJSA-N
MW264.20 g/mol
LogP3.96
Rot. Bonds5

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

(1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride (PubChem CID 171211117) has the molecular formula C12H19Cl2NO and a molecular weight of 264.20 g/mol. Its IUPAC name is (1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride
PubChem CID171211117
Molecular FormulaC12H19Cl2NO
Molecular Weight264.20 g/mol
Exact Mass263.08
IUPAC Name(1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1ccc(Cl)c(OC)c1.Cl
InChIInChI=1S/C12H18ClNO.ClH/c1-3-4-5-11(14)9-6-7-10(13)12(8-9)15-2;/h6-8,11H,3-5,14H2,1-2H3;1H/t11-;/m1./s1
InChIKeyPXKCCQJIHFAIQW-RFVHGSKJSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171211119
1-(4-chloro-3-methoxyphenyl)decan-1-amine
CID 105006970
(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-(3-chloro-4-methoxyphenyl)pentan-1-amine
CID 43130948
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083
(1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171230415
1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine
CID 79697774
5-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 162344330
1-(4-chloro-3-methoxyphenyl)decan-1-ol
CID 115817958
1-(4-chloro-3-methoxyphenyl)octan-1-ol
CID 79697126

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride (CID 171211117) is (1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride is CCCC[C@@H](N)c1ccc(Cl)c(OC)c1.Cl.
What is the InChIKey of (1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride?
The InChIKey is PXKCCQJIHFAIQW-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H18ClNO.ClH/c1-3-4-5-11(14)9-6-7-10(13)12(8-9)15-2;/h6-8,11H,3-5,14H2,1-2H3;1H/t11-;/m1./s1.
What are the key properties of (1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride?
(1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride has a molecular weight of 264.20 g/mol, XLogP of 3.96, 5 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)pentan-1-amine;hydrochloride is sourced from PubChem (CID 171211117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).