1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride

C17H28ClNO — CID 170894108

IUPAC1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
SMILESCc1cc(OCC2CC2)c(C(C)C)cc1CC(C)N.Cl
InChIInChI=1S/C17H27NO.ClH/c1-11(2)16-9-15(8-13(4)18)12(3)7-17(16)19-10-14-5-6-14;/h7,9,11,13-14H,5-6,8,10,18H2,1-4H3;1H
InChIKeyXDBSIPWYUAJYJH-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.22
Rot. Bonds6

About 1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride

1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride (PubChem CID 170894108) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
PubChem CID170894108
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
SMILESCc1cc(OCC2CC2)c(C(C)C)cc1CC(C)N.Cl
InChIInChI=1S/C17H27NO.ClH/c1-11(2)16-9-15(8-13(4)18)12(3)7-17(16)19-10-14-5-6-14;/h7,9,11,13-14H,5-6,8,10,18H2,1-4H3;1H
InChIKeyXDBSIPWYUAJYJH-UHFFFAOYSA-N
XLogP4.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
CID 170894105
1-[2-chloro-3-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 117352245
1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride
CID 170889656
1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890013
1-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride
CID 170894074
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine
CID 170891556
1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine
CID 65459757
1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170893909
1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride
CID 170894127
1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170894134
1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine
CID 117387846
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride?
The IUPAC name of 1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride (CID 170894108) is 1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride.
What is the SMILES notation for 1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride?
The canonical SMILES for 1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride is Cc1cc(OCC2CC2)c(C(C)C)cc1CC(C)N.Cl.
What is the InChIKey of 1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride?
The InChIKey is XDBSIPWYUAJYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO.ClH/c1-11(2)16-9-15(8-13(4)18)12(3)7-17(16)19-10-14-5-6-14;/h7,9,11,13-14H,5-6,8,10,18H2,1-4H3;1H.
What are the key properties of 1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride?
1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride has a molecular weight of 297.87 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 170894108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).