1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride

C15H24ClNO — CID 170890309

IUPAC1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1ccc(OCC2CC2)cc1C.Cl
InChIInChI=1S/C15H23NO.ClH/c1-3-14(16)9-13-6-7-15(8-11(13)2)17-10-12-4-5-12;/h6-8,12,14H,3-5,9-10,16H2,1-2H3;1H
InChIKeyXORHNODYEHXICS-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.49
Rot. Bonds6

About 1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride

1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride (PubChem CID 170890309) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
PubChem CID170890309
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1ccc(OCC2CC2)cc1C.Cl
InChIInChI=1S/C15H23NO.ClH/c1-3-14(16)9-13-6-7-15(8-11(13)2)17-10-12-4-5-12;/h6-8,12,14H,3-5,9-10,16H2,1-2H3;1H
InChIKeyXORHNODYEHXICS-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxy-2-methylphenyl)butan-2-amine
CID 13209708
1-[4-(cyclopropylmethoxy)-2,6-dimethylphenyl]butan-2-amine
CID 170890252
1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride
CID 170890282
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride
CID 170890247
1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890013
1-(bromomethyl)-4-(cyclopropylmethoxy)-2-methylbenzene
CID 68763979
1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine
CID 112621766
1-[4-tert-butyl-5-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170889912
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride
CID 170889987
1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine
CID 170890285
1-[3-chloro-4-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-2-amine;hydrochloride
CID 170890029
1-[4-(cyclobutylmethoxy)phenyl]butan-2-amine
CID 65459298

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride?
The IUPAC name of 1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride (CID 170890309) is 1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride.
What is the SMILES notation for 1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride?
The canonical SMILES for 1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride is CCC(N)Cc1ccc(OCC2CC2)cc1C.Cl.
What is the InChIKey of 1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride?
The InChIKey is XORHNODYEHXICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.ClH/c1-3-14(16)9-13-6-7-15(8-11(13)2)17-10-12-4-5-12;/h6-8,12,14H,3-5,9-10,16H2,1-2H3;1H.
What are the key properties of 1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride?
1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride has a molecular weight of 269.82 g/mol, XLogP of 3.49, 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-methylphenyl]butan-2-amine;hydrochloride is sourced from PubChem (CID 170890309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).