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

C16H26ClNO — CID 170894127

IUPAC1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride
SMILESCCCc1ccc(OCC2CC2)c(CC(C)N)c1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-3-4-13-7-8-16(18-11-14-5-6-14)15(10-13)9-12(2)17;/h7-8,10,12,14H,3-6,9,11,17H2,1-2H3;1H
InChIKeySKSXRIVHSRLKMY-UHFFFAOYSA-N
MW283.84 g/mol
LogP3.74
Rot. Bonds7

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

1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride (PubChem CID 170894127) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride
PubChem CID170894127
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride
SMILESCCCc1ccc(OCC2CC2)c(CC(C)N)c1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-3-4-13-7-8-16(18-11-14-5-6-14)15(10-13)9-12(2)17;/h7-8,10,12,14H,3-6,9,11,17H2,1-2H3;1H
InChIKeySKSXRIVHSRLKMY-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
CID 170894105
1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170893909
1-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride
CID 170894074
1-[5-[2-(cyclopropylmethoxy)ethyl]-2-propoxyphenyl]butan-2-amine;hydrochloride
CID 170890274
1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 63052009
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-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine
CID 61342843
1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride
CID 170889904
1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 63325810
1-[3-benzyl-4-(cyclopropylmethoxy)phenyl]butan-2-amine
CID 170890609

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride?
The IUPAC name of 1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride (CID 170894127) is 1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride is CCCc1ccc(OCC2CC2)c(CC(C)N)c1.Cl.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride?
The InChIKey is SKSXRIVHSRLKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.ClH/c1-3-4-13-7-8-16(18-11-14-5-6-14)15(10-13)9-12(2)17;/h7-8,10,12,14H,3-6,9,11,17H2,1-2H3;1H.
What are the key properties of 1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride?
1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride has a molecular weight of 283.84 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 170894127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).