1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride

C16H26ClNO — CID 170890247

IUPAC1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1ccc(OCC2CC2)c(C)c1C.Cl
InChIInChI=1S/C16H25NO.ClH/c1-4-15(17)9-14-7-8-16(12(3)11(14)2)18-10-13-5-6-13;/h7-8,13,15H,4-6,9-10,17H2,1-3H3;1H
InChIKeyMNSLHWXNNMOLOW-UHFFFAOYSA-N
MW283.84 g/mol
LogP3.79
Rot. Bonds6

About 1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride

1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride (PubChem CID 170890247) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride
PubChem CID170890247
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride
SMILESCCC(N)Cc1ccc(OCC2CC2)c(C)c1C.Cl
InChIInChI=1S/C16H25NO.ClH/c1-4-15(17)9-14-7-8-16(12(3)11(14)2)18-10-13-5-6-13;/h7-8,13,15H,4-6,9-10,17H2,1-3H3;1H
InChIKeyMNSLHWXNNMOLOW-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine
CID 170891556
1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890309
1-[5-butan-2-yl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride
CID 170889904
1-[5-chloro-4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890013
1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine
CID 170890285
1-[4-tert-butyl-5-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170889912
1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride
CID 170890282
1-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]butan-2-amine
CID 79168840
1-[3-butan-2-yl-4-(cyclopropylmethoxy)phenyl]butan-2-amine
CID 170889903
1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine
CID 112621766
1-[3-benzyl-4-(cyclopropylmethoxy)phenyl]butan-2-amine
CID 170890609
1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine
CID 104667102

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride?
The IUPAC name of 1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride (CID 170890247) is 1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride.
What is the SMILES notation for 1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride?
The canonical SMILES for 1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride is CCC(N)Cc1ccc(OCC2CC2)c(C)c1C.Cl.
What is the InChIKey of 1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride?
The InChIKey is MNSLHWXNNMOLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.ClH/c1-4-15(17)9-14-7-8-16(12(3)11(14)2)18-10-13-5-6-13;/h7-8,13,15H,4-6,9-10,17H2,1-3H3;1H.
What are the key properties of 1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride?
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride has a molecular weight of 283.84 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride is sourced from PubChem (CID 170890247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).