(1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride

C14H24ClNO2 — CID 171230415

IUPAC(1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@H](N)c1ccc(OC)c(OCC)c1.Cl
InChIInChI=1S/C14H23NO2.ClH/c1-4-6-7-12(15)11-8-9-13(16-3)14(10-11)17-5-2;/h8-10,12H,4-7,15H2,1-3H3;1H/t12-;/m0./s1
InChIKeyATVUCGPWCBLPCV-YDALLXLXSA-N
MW273.80 g/mol
LogP3.71
Rot. Bonds7

About (1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride

(1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride (PubChem CID 171230415) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is (1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride
PubChem CID171230415
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC Name(1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@H](N)c1ccc(OC)c(OCC)c1.Cl
InChIInChI=1S/C14H23NO2.ClH/c1-4-6-7-12(15)11-8-9-13(16-3)14(10-11)17-5-2;/h8-10,12H,4-7,15H2,1-3H3;1H/t12-;/m0./s1
InChIKeyATVUCGPWCBLPCV-YDALLXLXSA-N
XLogP3.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-ethoxy-4-methoxyphenyl)butane-1,4-diamine
CID 171210802
(3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol
CID 67175570
(1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171210846
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171210799
(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171210798
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171212991
1-(3-ethoxy-4-methoxyphenyl)-3-methylsulfonylpropan-1-amine
CID 142700262
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine
CID 66516767
(4S)-4-amino-4-(4-ethoxy-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171231868
(1S)-1-(4-ethoxy-3-methoxyphenyl)butane-1,4-diamine
CID 171231816
4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride
CID 171200829
(1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine
CID 171212212

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride (CID 171230415) is (1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride is CCCC[C@H](N)c1ccc(OC)c(OCC)c1.Cl.
What is the InChIKey of (1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride?
The InChIKey is ATVUCGPWCBLPCV-YDALLXLXSA-N. The full InChI is InChI=1S/C14H23NO2.ClH/c1-4-6-7-12(15)11-8-9-13(16-3)14(10-11)17-5-2;/h8-10,12H,4-7,15H2,1-3H3;1H/t12-;/m0./s1.
What are the key properties of (1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride?
(1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride has a molecular weight of 273.80 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride is sourced from PubChem (CID 171230415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).