1-cyclopropyl-3-(3,5-dimethylphenyl)-1-ethoxy-N-ethylpropan-2-amine

C18H29NO — CID 116723632

IUPAC1-cyclopropyl-3-(3,5-dimethylphenyl)-1-ethoxy-N-ethylpropan-2-amine
SMILESCCNC(Cc1cc(C)cc(C)c1)C(OCC)C1CC1
InChIInChI=1S/C18H29NO/c1-5-19-17(18(20-6-2)16-7-8-16)12-15-10-13(3)9-14(4)11-15/h9-11,16-19H,5-8,12H2,1-4H3
InChIKeySFGXPJFLZVTPNH-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.64
Rot. Bonds8

About 1-cyclopropyl-3-(3,5-dimethylphenyl)-1-ethoxy-N-ethylpropan-2-amine

1-cyclopropyl-3-(3,5-dimethylphenyl)-1-ethoxy-N-ethylpropan-2-amine (PubChem CID 116723632) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3,5-dimethylphenyl)-1-ethoxy-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(3,5-dimethylphenyl)-1-ethoxy-N-ethylpropan-2-amine
PubChem CID116723632
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-cyclopropyl-3-(3,5-dimethylphenyl)-1-ethoxy-N-ethylpropan-2-amine
SMILESCCNC(Cc1cc(C)cc(C)c1)C(OCC)C1CC1
InChIInChI=1S/C18H29NO/c1-5-19-17(18(20-6-2)16-7-8-16)12-15-10-13(3)9-14(4)11-15/h9-11,16-19H,5-8,12H2,1-4H3
InChIKeySFGXPJFLZVTPNH-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723713
1-cyclopropyl-3-(3,4-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723664
3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 107885188
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723583
1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725779
1-cyclopropyl-1-ethoxy-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 116723376
1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723730
3-(2-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723625
[1-cyclopropyl-3-(3,5-difluorophenyl)-1-ethoxypropan-2-yl]hydrazine
CID 105413016
3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 102619358
1-cyclopropyl-1-ethoxy-N-ethyl-3-(2-methoxyphenyl)propan-2-amine
CID 116723635
1-cyclopropyl-1-ethoxy-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 116723587

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3,5-dimethylphenyl)-1-ethoxy-N-ethylpropan-2-amine?
The IUPAC name of 1-cyclopropyl-3-(3,5-dimethylphenyl)-1-ethoxy-N-ethylpropan-2-amine (CID 116723632) is 1-cyclopropyl-3-(3,5-dimethylphenyl)-1-ethoxy-N-ethylpropan-2-amine.
What is the SMILES notation for 1-cyclopropyl-3-(3,5-dimethylphenyl)-1-ethoxy-N-ethylpropan-2-amine?
The canonical SMILES for 1-cyclopropyl-3-(3,5-dimethylphenyl)-1-ethoxy-N-ethylpropan-2-amine is CCNC(Cc1cc(C)cc(C)c1)C(OCC)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(3,5-dimethylphenyl)-1-ethoxy-N-ethylpropan-2-amine?
The InChIKey is SFGXPJFLZVTPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-19-17(18(20-6-2)16-7-8-16)12-15-10-13(3)9-14(4)11-15/h9-11,16-19H,5-8,12H2,1-4H3.
What are the key properties of 1-cyclopropyl-3-(3,5-dimethylphenyl)-1-ethoxy-N-ethylpropan-2-amine?
1-cyclopropyl-3-(3,5-dimethylphenyl)-1-ethoxy-N-ethylpropan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3,5-dimethylphenyl)-1-ethoxy-N-ethylpropan-2-amine is sourced from PubChem (CID 116723632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).