1-cyclopropyl-3-(4-ethylphenyl)-1-methoxypropan-2-amine

C15H23NO — CID 116722006

IUPAC1-cyclopropyl-3-(4-ethylphenyl)-1-methoxypropan-2-amine
SMILESCCc1ccc(CC(N)C(OC)C2CC2)cc1
InChIInChI=1S/C15H23NO/c1-3-11-4-6-12(7-5-11)10-14(16)15(17-2)13-8-9-13/h4-7,13-15H,3,8-10,16H2,1-2H3
InChIKeyNVQNAFSGZVFBRY-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.54
Rot. Bonds6

About 1-cyclopropyl-3-(4-ethylphenyl)-1-methoxypropan-2-amine

1-cyclopropyl-3-(4-ethylphenyl)-1-methoxypropan-2-amine (PubChem CID 116722006) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-ethylphenyl)-1-methoxypropan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-ethylphenyl)-1-methoxypropan-2-amine
PubChem CID116722006
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-cyclopropyl-3-(4-ethylphenyl)-1-methoxypropan-2-amine
SMILESCCc1ccc(CC(N)C(OC)C2CC2)cc1
InChIInChI=1S/C15H23NO/c1-3-11-4-6-12(7-5-11)10-14(16)15(17-2)13-8-9-13/h4-7,13-15H,3,8-10,16H2,1-2H3
InChIKeyNVQNAFSGZVFBRY-UHFFFAOYSA-N
XLogP2.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-amino-3-cyclopropyl-3-methoxypropyl)pyridin-2-amine
CID 116722090
1-(4-ethylphenyl)-3-methoxypentan-2-amine
CID 116715207
3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-amine
CID 116721854
1-cyclopropyl-1-methoxy-3-naphthalen-1-ylpropan-2-amine
CID 116721971
1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol
CID 116712560
[3-(4-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-yl]hydrazine
CID 105272881
1-cyclopropyl-1-methoxy-4-thiophen-3-ylbutan-2-amine
CID 116722043
2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanamine
CID 55188328
3-(3-chloro-4-fluorophenyl)-1-cyclopropyl-1-ethoxypropan-2-amine
CID 103040498
1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 116712645
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-amine
CID 116721888
1-cyclopropyl-1-methoxy-3-(oxan-4-yl)propan-2-amine
CID 116721882

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-ethylphenyl)-1-methoxypropan-2-amine?
The IUPAC name of 1-cyclopropyl-3-(4-ethylphenyl)-1-methoxypropan-2-amine (CID 116722006) is 1-cyclopropyl-3-(4-ethylphenyl)-1-methoxypropan-2-amine.
What is the SMILES notation for 1-cyclopropyl-3-(4-ethylphenyl)-1-methoxypropan-2-amine?
The canonical SMILES for 1-cyclopropyl-3-(4-ethylphenyl)-1-methoxypropan-2-amine is CCc1ccc(CC(N)C(OC)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-3-(4-ethylphenyl)-1-methoxypropan-2-amine?
The InChIKey is NVQNAFSGZVFBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-11-4-6-12(7-5-11)10-14(16)15(17-2)13-8-9-13/h4-7,13-15H,3,8-10,16H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(4-ethylphenyl)-1-methoxypropan-2-amine?
1-cyclopropyl-3-(4-ethylphenyl)-1-methoxypropan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-ethylphenyl)-1-methoxypropan-2-amine is sourced from PubChem (CID 116722006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).