(1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride

C14H24ClNO2 — CID 171220642

IUPAC(1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride
SMILESCOc1ccc([C@@H](N)CCC(C)C)c(OC)c1.Cl
InChIInChI=1S/C14H23NO2.ClH/c1-10(2)5-8-13(15)12-7-6-11(16-3)9-14(12)17-4;/h6-7,9-10,13H,5,8,15H2,1-4H3;1H/t13-;/m0./s1
InChIKeyCNDWRPSQQAZWTE-ZOWNYOTGSA-N
MW273.80 g/mol
LogP3.56
Rot. Bonds6

About (1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride

(1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride (PubChem CID 171220642) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is (1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride
PubChem CID171220642
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC Name(1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride
SMILESCOc1ccc([C@@H](N)CCC(C)C)c(OC)c1.Cl
InChIInChI=1S/C14H23NO2.ClH/c1-10(2)5-8-13(15)12-7-6-11(16-3)9-14(12)17-4;/h6-7,9-10,13H,5,8,15H2,1-4H3;1H/t13-;/m0./s1
InChIKeyCNDWRPSQQAZWTE-ZOWNYOTGSA-N
XLogP3.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171201093
(1S)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171219626
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
(1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171200097
1-(2-bromo-5-methoxyphenyl)-4-methylpentan-1-amine
CID 105126878
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61088835
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529
(1S)-1-(2,4-dimethoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171312907
1-(2,4-dimethoxyphenyl)-3-phenoxypropan-1-amine
CID 62802951

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride (CID 171220642) is (1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride is COc1ccc([C@@H](N)CCC(C)C)c(OC)c1.Cl.
What is the InChIKey of (1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride?
The InChIKey is CNDWRPSQQAZWTE-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H23NO2.ClH/c1-10(2)5-8-13(15)12-7-6-11(16-3)9-14(12)17-4;/h6-7,9-10,13H,5,8,15H2,1-4H3;1H/t13-;/m0./s1.
What are the key properties of (1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride?
(1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride has a molecular weight of 273.80 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride is sourced from PubChem (CID 171220642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).