(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride

C12H18ClNO — CID 171200883

IUPAC(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1ccc([C@H](N)CC2CC2)cc1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-14-11-6-4-10(5-7-11)12(13)8-9-2-3-9;/h4-7,9,12H,2-3,8,13H2,1H3;1H/t12-;/m1./s1
InChIKeyFUGBFJUSSYHVSL-UTONKHPSSA-N
MW227.74 g/mol
LogP2.92
Rot. Bonds4

About (1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride

(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride (PubChem CID 171200883) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is (1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
PubChem CID171200883
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
SMILESCOc1ccc([C@H](N)CC2CC2)cc1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-14-11-6-4-10(5-7-11)12(13)8-9-2-3-9;/h4-7,9,12H,2-3,8,13H2,1H3;1H/t12-;/m1./s1
InChIKeyFUGBFJUSSYHVSL-UTONKHPSSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-2-(thian-4-yl)ethanamine
CID 105095213
(1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171230371
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 63504313
2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 55295548
(1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 171199341
2-cyclopropyl-1-(4-methylphenyl)ethanamine
CID 22649613
2-cyclopropyl-1-(4-fluorophenyl)ethanamine;hydrochloride
CID 131637709
1-(4-methoxyphenyl)-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine
CID 101011841
(1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride
CID 171230824
(1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride
CID 171219224
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777

Frequently Asked Questions

What is the IUPAC name of (1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of (1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride (CID 171200883) is (1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride is COc1ccc([C@H](N)CC2CC2)cc1.Cl.
What is the InChIKey of (1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride?
The InChIKey is FUGBFJUSSYHVSL-UTONKHPSSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-14-11-6-4-10(5-7-11)12(13)8-9-2-3-9;/h4-7,9,12H,2-3,8,13H2,1H3;1H/t12-;/m1./s1.
What are the key properties of (1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride?
(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171200883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).