1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride

C16H26ClNO — CID 170894105

IUPAC1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
SMILESCC(N)Cc1cc(C(C)C)ccc1OCC1CC1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-11(2)14-6-7-16(18-10-13-4-5-13)15(9-14)8-12(3)17;/h6-7,9,11-13H,4-5,8,10,17H2,1-3H3;1H
InChIKeyOSWLCCCQXUARHL-UHFFFAOYSA-N
MW283.84 g/mol
LogP3.91
Rot. Bonds6

About 1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride

1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride (PubChem CID 170894105) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
PubChem CID170894105
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
SMILESCC(N)Cc1cc(C(C)C)ccc1OCC1CC1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-11(2)14-6-7-16(18-10-13-4-5-13)15(9-14)8-12(3)17;/h6-7,9,11-13H,4-5,8,10,17H2,1-3H3;1H
InChIKeyOSWLCCCQXUARHL-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170893909
1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride
CID 170889904
1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride
CID 170894127
1-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride
CID 170894074
1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine
CID 65459757
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine
CID 170891556
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
CID 170894108
1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 63325810
1-[2-chloro-3-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 117352245
1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 63052009
2-(cyclobutylmethoxy)-1-methyl-4-propan-2-ylbenzene
CID 81004753

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride?
The IUPAC name of 1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride (CID 170894105) is 1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride is CC(N)Cc1cc(C(C)C)ccc1OCC1CC1.Cl.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride?
The InChIKey is OSWLCCCQXUARHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.ClH/c1-11(2)14-6-7-16(18-10-13-4-5-13)15(9-14)8-12(3)17;/h6-7,9,11-13H,4-5,8,10,17H2,1-3H3;1H.
What are the key properties of 1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride?
1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride has a molecular weight of 283.84 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 170894105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).