1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride

C17H28ClNO — CID 170893909

IUPAC1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
SMILESCCC(C)c1ccc(OCC2CC2)c(CC(C)N)c1.Cl
InChIInChI=1S/C17H27NO.ClH/c1-4-12(2)15-7-8-17(19-11-14-5-6-14)16(10-15)9-13(3)18;/h7-8,10,12-14H,4-6,9,11,18H2,1-3H3;1H
InChIKeyAWEDNAYRLQRWPM-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.30
Rot. Bonds7

About 1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride

1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride (PubChem CID 170893909) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
PubChem CID170893909
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
SMILESCCC(C)c1ccc(OCC2CC2)c(CC(C)N)c1.Cl
InChIInChI=1S/C17H27NO.ClH/c1-4-12(2)15-7-8-17(19-11-14-5-6-14)16(10-15)9-13(3)18;/h7-8,10,12-14H,4-6,9,11,18H2,1-3H3;1H
InChIKeyAWEDNAYRLQRWPM-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride
CID 170889904
1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
CID 170894105
1-(5-butan-2-yl-2-propoxyphenyl)propan-2-amine
CID 170891440
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
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343381
1-[3-butan-2-yl-4-(cyclopropylmethoxy)phenyl]butan-2-amine
CID 170889903
1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 63325810
1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
CID 170894108

Frequently Asked Questions

What is the IUPAC name of 1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride?
The IUPAC name of 1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride (CID 170893909) is 1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride.
What is the SMILES notation for 1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride?
The canonical SMILES for 1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride is CCC(C)c1ccc(OCC2CC2)c(CC(C)N)c1.Cl.
What is the InChIKey of 1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride?
The InChIKey is AWEDNAYRLQRWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO.ClH/c1-4-12(2)15-7-8-17(19-11-14-5-6-14)16(10-15)9-13(3)18;/h7-8,10,12-14H,4-6,9,11,18H2,1-3H3;1H.
What are the key properties of 1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride?
1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride has a molecular weight of 297.87 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 170893909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).