1-(4-propoxyphenyl)propan-2-amine;hydrochloride

C12H20ClNO — CID 3027264

IUPAC1-(4-propoxyphenyl)propan-2-amine;hydrochloride
SMILESCCCOc1ccc(CC(C)N)cc1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-3-8-14-12-6-4-11(5-7-12)9-10(2)13;/h4-7,10H,3,8-9,13H2,1-2H3;1H
InChIKeyLKLASQHOVPGVST-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.79
Rot. Bonds5

About 1-(4-propoxyphenyl)propan-2-amine;hydrochloride

1-(4-propoxyphenyl)propan-2-amine;hydrochloride (PubChem CID 3027264) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is 1-(4-propoxyphenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-propoxyphenyl)propan-2-amine;hydrochloride
PubChem CID3027264
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name1-(4-propoxyphenyl)propan-2-amine;hydrochloride
SMILESCCCOc1ccc(CC(C)N)cc1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-3-8-14-12-6-4-11(5-7-12)9-10(2)13;/h4-7,10H,3,8-9,13H2,1-2H3;1H
InChIKeyLKLASQHOVPGVST-UHFFFAOYSA-N
XLogP2.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-butoxyethoxy)phenyl]propan-2-amine
CID 54956350
1-[4-(2-bromoethoxy)phenyl]propan-2-amine
CID 170864441
(2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine
CID 57215719
1-[4-(2-ethylsulfonylethoxy)phenyl]propan-2-amine
CID 54930795
1-(3-bromo-2-methylpropyl)-4-propoxybenzene
CID 64673355
(2R)-1-(3-butoxyphenyl)propan-2-amine
CID 171719991
1-[2-(4-propoxyphenoxy)phenyl]propan-2-amine
CID 63815038
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
[4-(4-propoxyphenoxy)phenyl]methanamine
CID 28971093
1-(4-pentan-2-yloxyphenyl)propan-2-amine
CID 107885477
1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine
CID 60907315
ethane;2-methyl-3-(4-propoxyphenyl)propanoic acid
CID 144819636

Frequently Asked Questions

What is the IUPAC name of 1-(4-propoxyphenyl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(4-propoxyphenyl)propan-2-amine;hydrochloride (CID 3027264) is 1-(4-propoxyphenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(4-propoxyphenyl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(4-propoxyphenyl)propan-2-amine;hydrochloride is CCCOc1ccc(CC(C)N)cc1.Cl.
What is the InChIKey of 1-(4-propoxyphenyl)propan-2-amine;hydrochloride?
The InChIKey is LKLASQHOVPGVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.ClH/c1-3-8-14-12-6-4-11(5-7-12)9-10(2)13;/h4-7,10H,3,8-9,13H2,1-2H3;1H.
What are the key properties of 1-(4-propoxyphenyl)propan-2-amine;hydrochloride?
1-(4-propoxyphenyl)propan-2-amine;hydrochloride has a molecular weight of 229.75 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propoxyphenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 3027264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).