3-cyclopropyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine

C15H23NO — CID 112512208

IUPAC3-cyclopropyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine
SMILESCCOc1ccc(C(CCN)C2CC2)cc1C
InChIInChI=1S/C15H23NO/c1-3-17-15-7-6-13(10-11(15)2)14(8-9-16)12-4-5-12/h6-7,10,12,14H,3-5,8-9,16H2,1-2H3
InChIKeyHTXKAXGKSQZWKR-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.24
Rot. Bonds6

About 3-cyclopropyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine

3-cyclopropyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine (PubChem CID 112512208) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine
PubChem CID112512208
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-cyclopropyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine
SMILESCCOc1ccc(C(CCN)C2CC2)cc1C
InChIInChI=1S/C15H23NO/c1-3-17-15-7-6-13(10-11(15)2)14(8-9-16)12-4-5-12/h6-7,10,12,14H,3-5,8-9,16H2,1-2H3
InChIKeyHTXKAXGKSQZWKR-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 112515939
1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
CID 116932779
1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine
CID 116933717
2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine
CID 83973829
(4-ethoxy-3-methylphenyl)-methoxymethanamine
CID 116947277
2-(3,4-diethoxyphenyl)-2-(thian-4-yl)ethanamine
CID 83973833
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
3-cyclopentyl-3-(3-ethyl-4-methoxyphenyl)propan-1-amine
CID 112516911
3-(4-ethoxyphenyl)-3-(oxan-4-yl)propan-1-amine
CID 112517181
2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine
CID 82024046
N'-cyclopropyl-1-(4-ethoxy-3-methylphenyl)ethane-1,2-diamine
CID 116935183
3-[dimethylamino-(4-ethoxy-3-methylphenyl)methyl]cyclobutan-1-amine
CID 116907306

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine?
The IUPAC name of 3-cyclopropyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine (CID 112512208) is 3-cyclopropyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine?
The canonical SMILES for 3-cyclopropyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine is CCOc1ccc(C(CCN)C2CC2)cc1C.
What is the InChIKey of 3-cyclopropyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine?
The InChIKey is HTXKAXGKSQZWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-17-15-7-6-13(10-11(15)2)14(8-9-16)12-4-5-12/h6-7,10,12,14H,3-5,8-9,16H2,1-2H3.
What are the key properties of 3-cyclopropyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine?
3-cyclopropyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine is sourced from PubChem (CID 112512208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).