1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride

C12H18ClNO — CID 171689372

IUPAC1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride
SMILESCC(N)c1ccc(OCC2CC2)cc1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-9(13)11-4-6-12(7-5-11)14-8-10-2-3-10;/h4-7,9-10H,2-3,8,13H2,1H3;1H
InChIKeyYGPCACSWNREWMM-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.92
Rot. Bonds4

About 1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride

1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride (PubChem CID 171689372) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride
PubChem CID171689372
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride
SMILESCC(N)c1ccc(OCC2CC2)cc1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-9(13)11-4-6-12(7-5-11)14-8-10-2-3-10;/h4-7,9-10H,2-3,8,13H2,1H3;1H
InChIKeyYGPCACSWNREWMM-UHFFFAOYSA-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-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]ethanamine
CID 117052228
(1R)-1-[4-(cyclopropylmethoxy)phenyl]-N,N,2-trimethylpropan-1-amine
CID 118928761
(1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133228
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 104889478
1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine
CID 107715743
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 134541503
1-[4-[[(4S)-6-(cyclopropylmethoxy)-4-fluoro-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]ethanamine;hydrochloride
CID 118939122
1-[4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanamine
CID 102896304
(1R)-1-[3-(cyclopropylmethoxymethoxy)phenyl]ethanamine
CID 106929329
(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine;molecular hydrogen
CID 142361370
1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine
CID 126963402

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride?
The IUPAC name of 1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride (CID 171689372) is 1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride?
The canonical SMILES for 1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride is CC(N)c1ccc(OCC2CC2)cc1.Cl.
What is the InChIKey of 1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride?
The InChIKey is YGPCACSWNREWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-9(13)11-4-6-12(7-5-11)14-8-10-2-3-10;/h4-7,9-10H,2-3,8,13H2,1H3;1H.
What are the key properties of 1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride?
1-[4-(cyclopropylmethoxy)phenyl]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 1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 171689372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).