(1R)-1-[3-(cyclopropylmethoxy)phenyl]propan-1-amine;hydrochloride

C13H20ClNO — CID 70655533

IUPAC(1R)-1-[3-(cyclopropylmethoxy)phenyl]propan-1-amine;hydrochloride
SMILESCC[C@@H](N)c1cccc(OCC2CC2)c1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-2-13(14)11-4-3-5-12(8-11)15-9-10-6-7-10;/h3-5,8,10,13H,2,6-7,9,14H2,1H3;1H/t13-;/m1./s1
InChIKeyJROZRPOJNGEMMW-BTQNPOSSSA-N
MW241.76 g/mol
LogP3.31
Rot. Bonds5

About (1R)-1-[3-(cyclopropylmethoxy)phenyl]propan-1-amine;hydrochloride

(1R)-1-[3-(cyclopropylmethoxy)phenyl]propan-1-amine;hydrochloride (PubChem CID 70655533) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is (1R)-1-[3-(cyclopropylmethoxy)phenyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[3-(cyclopropylmethoxy)phenyl]propan-1-amine;hydrochloride
PubChem CID70655533
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name(1R)-1-[3-(cyclopropylmethoxy)phenyl]propan-1-amine;hydrochloride
SMILESCC[C@@H](N)c1cccc(OCC2CC2)c1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-2-13(14)11-4-3-5-12(8-11)15-9-10-6-7-10;/h3-5,8,10,13H,2,6-7,9,14H2,1H3;1H/t13-;/m1./s1
InChIKeyJROZRPOJNGEMMW-BTQNPOSSSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[3-(cyclopropylmethoxy)phenyl]propan-1-amine
CID 143948375
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
(1R)-1-[3-(cyclopropylmethoxymethoxy)phenyl]ethanamine
CID 106929329
1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
CID 58097643
1-[3-(oxan-4-ylmethoxy)phenyl]propan-1-ol
CID 142795569
2-(2-cyclopropylethoxy)ethanethiol;1-[3-(cyclopropylmethoxy)phenyl]ethanamine;ethane
CID 142360497
2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine
CID 105022380
3-[3-(cyclopropylmethoxy)phenyl]butanal
CID 117311168
1-[3-(1-aminopropyl)phenyl]propan-1-amine
CID 20543882
2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 55295548
1-[3-(cyclobutylmethoxy)phenyl]butan-2-amine
CID 65459310
(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225210

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(cyclopropylmethoxy)phenyl]propan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-[3-(cyclopropylmethoxy)phenyl]propan-1-amine;hydrochloride (CID 70655533) is (1R)-1-[3-(cyclopropylmethoxy)phenyl]propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-[3-(cyclopropylmethoxy)phenyl]propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-[3-(cyclopropylmethoxy)phenyl]propan-1-amine;hydrochloride is CC[C@@H](N)c1cccc(OCC2CC2)c1.Cl.
What is the InChIKey of (1R)-1-[3-(cyclopropylmethoxy)phenyl]propan-1-amine;hydrochloride?
The InChIKey is JROZRPOJNGEMMW-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-2-13(14)11-4-3-5-12(8-11)15-9-10-6-7-10;/h3-5,8,10,13H,2,6-7,9,14H2,1H3;1H/t13-;/m1./s1.
What are the key properties of (1R)-1-[3-(cyclopropylmethoxy)phenyl]propan-1-amine;hydrochloride?
(1R)-1-[3-(cyclopropylmethoxy)phenyl]propan-1-amine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(cyclopropylmethoxy)phenyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 70655533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).