1-(3,5-dimethoxy-4-methylphenyl)propan-2-amine;hydrochloride

C12H20ClNO2 — CID 168891432

IUPAC1-(3,5-dimethoxy-4-methylphenyl)propan-2-amine;hydrochloride
SMILESCOc1cc(CC(C)N)cc(OC)c1C.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-8(13)5-10-6-11(14-3)9(2)12(7-10)15-4;/h6-8H,5,13H2,1-4H3;1H
InChIKeyRGUQDVWOXGCCBU-UHFFFAOYSA-N
MW245.75 g/mol
LogP2.32
Rot. Bonds4

About 1-(3,5-dimethoxy-4-methylphenyl)propan-2-amine;hydrochloride

1-(3,5-dimethoxy-4-methylphenyl)propan-2-amine;hydrochloride (PubChem CID 168891432) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is 1-(3,5-dimethoxy-4-methylphenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dimethoxy-4-methylphenyl)propan-2-amine;hydrochloride
PubChem CID168891432
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name1-(3,5-dimethoxy-4-methylphenyl)propan-2-amine;hydrochloride
SMILESCOc1cc(CC(C)N)cc(OC)c1C.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-8(13)5-10-6-11(14-3)9(2)12(7-10)15-4;/h6-8H,5,13H2,1-4H3;1H
InChIKeyRGUQDVWOXGCCBU-UHFFFAOYSA-N
XLogP2.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4,5-trimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492617
1-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]propan-2-amine
CID 65364643
1-(3,4-dimethoxy-5-methylphosphanyloxyphenyl)propan-2-amine
CID 168931516
1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine
CID 62103493
1-[4-[2-(dimethylamino)ethoxy]-3,5-dimethoxyphenyl]propan-2-amine
CID 60907775
1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-amine
CID 117299172
1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine
CID 117320597
1-(3-chloro-5-methoxy-4-propoxyphenyl)propan-2-amine
CID 54930877
1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine
CID 61343582
2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanamide
CID 62901223
2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanoic acid
CID 64660777
1-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-2-amine
CID 170864443

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxy-4-methylphenyl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(3,5-dimethoxy-4-methylphenyl)propan-2-amine;hydrochloride (CID 168891432) is 1-(3,5-dimethoxy-4-methylphenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(3,5-dimethoxy-4-methylphenyl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(3,5-dimethoxy-4-methylphenyl)propan-2-amine;hydrochloride is COc1cc(CC(C)N)cc(OC)c1C.Cl.
What is the InChIKey of 1-(3,5-dimethoxy-4-methylphenyl)propan-2-amine;hydrochloride?
The InChIKey is RGUQDVWOXGCCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.ClH/c1-8(13)5-10-6-11(14-3)9(2)12(7-10)15-4;/h6-8H,5,13H2,1-4H3;1H.
What are the key properties of 1-(3,5-dimethoxy-4-methylphenyl)propan-2-amine;hydrochloride?
1-(3,5-dimethoxy-4-methylphenyl)propan-2-amine;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxy-4-methylphenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 168891432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).