1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine

C15H23NO — CID 170891556

IUPAC1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine
SMILESCc1c(CC(C)N)ccc(OCC2CC2)c1C
InChIInChI=1S/C15H23NO/c1-10(16)8-14-6-7-15(12(3)11(14)2)17-9-13-4-5-13/h6-7,10,13H,4-5,8-9,16H2,1-3H3
InChIKeyBTRRGOHQEKQSAF-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.98
Rot. Bonds5

About 1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine

1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine (PubChem CID 170891556) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine
PubChem CID170891556
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine
SMILESCc1c(CC(C)N)ccc(OCC2CC2)c1C
InChIInChI=1S/C15H23NO/c1-10(16)8-14-6-7-15(12(3)11(14)2)17-9-13-4-5-13/h6-7,10,13H,4-5,8-9,16H2,1-3H3
InChIKeyBTRRGOHQEKQSAF-UHFFFAOYSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]butan-2-amine;hydrochloride
CID 170890247
1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
CID 170894105
1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine
CID 65459757
1-[2-chloro-3-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 117352245
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-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 63325810
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
1-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride
CID 170894074
1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
CID 170894108
4-(cyclopropylmethoxy)-2,3-dimethylbenzenesulfonamide
CID 43560584
1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 63052009

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine?
The IUPAC name of 1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine (CID 170891556) is 1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine?
The canonical SMILES for 1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine is Cc1c(CC(C)N)ccc(OCC2CC2)c1C.
What is the InChIKey of 1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine?
The InChIKey is BTRRGOHQEKQSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10(16)8-14-6-7-15(12(3)11(14)2)17-9-13-4-5-13/h6-7,10,13H,4-5,8-9,16H2,1-3H3.
What are the key properties of 1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine?
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 2.98, 5 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]propan-2-amine is sourced from PubChem (CID 170891556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).