2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine

C16H25NO — CID 83153801

IUPAC2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine
SMILESCCNC(c1ccc(OC)cc1C)C(C)C1CC1
InChIInChI=1S/C16H25NO/c1-5-17-16(12(3)13-6-7-13)15-9-8-14(18-4)10-11(15)2/h8-10,12-13,16-17H,5-7H2,1-4H3
InChIKeyAUPFXEBSZSUZJS-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.70
Rot. Bonds6

About 2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine

2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine (PubChem CID 83153801) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine
PubChem CID83153801
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine
SMILESCCNC(c1ccc(OC)cc1C)C(C)C1CC1
InChIInChI=1S/C16H25NO/c1-5-17-16(12(3)13-6-7-13)15-9-8-14(18-4)10-11(15)2/h8-10,12-13,16-17H,5-7H2,1-4H3
InChIKeyAUPFXEBSZSUZJS-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
CID 43490085
2-cyclopropyl-N-ethyl-1-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 83149804
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine
CID 104518588
2-ethoxy-N-ethyl-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-amine
CID 116721568
[2-cyclopropyl-2-ethoxy-1-(4-methoxy-2-methylphenyl)ethyl]hydrazine
CID 105273244
N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 65313720
2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine
CID 65318326
N-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276557
2-cyclopropyl-1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine
CID 83154688
2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-ethylpropan-1-amine
CID 83155291
2-cyclopropyl-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 83154390
2-cyclohexyl-2-methoxy-1-(4-methoxy-2-methylphenyl)-N-methylethanamine
CID 116771624

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine (CID 83153801) is 2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine is CCNC(c1ccc(OC)cc1C)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine?
The InChIKey is AUPFXEBSZSUZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-17-16(12(3)13-6-7-13)15-9-8-14(18-4)10-11(15)2/h8-10,12-13,16-17H,5-7H2,1-4H3.
What are the key properties of 2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine?
2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine is sourced from PubChem (CID 83153801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).