N-[[2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine

C17H27NO — CID 62714780

IUPACN-[[2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCCC1(c2ccc(OC)cc2)CC1CNCC(C)C
InChIInChI=1S/C17H27NO/c1-5-17(10-15(17)12-18-11-13(2)3)14-6-8-16(19-4)9-7-14/h6-9,13,15,18H,5,10-12H2,1-4H3
InChIKeyUAUHFVPPMACBGK-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.61
Rot. Bonds7

About N-[[2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine

N-[[2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine (PubChem CID 62714780) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
PubChem CID62714780
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCCC1(c2ccc(OC)cc2)CC1CNCC(C)C
InChIInChI=1S/C17H27NO/c1-5-17(10-15(17)12-18-11-13(2)3)14-6-8-16(19-4)9-7-14/h6-9,13,15,18H,5,10-12H2,1-4H3
InChIKeyUAUHFVPPMACBGK-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-ethyl-2-(4-methoxyphenyl)cyclopropan-1-amine
CID 105445465
N-[[2-(4-bromophenyl)-2-ethylcyclopropyl]methyl]-2-methoxyethanamine
CID 62713015
N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine
CID 62714065
2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339393
N-[[2-[(2-methoxyphenyl)methyl]-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine
CID 62712827
2-methyl-N-[(2-methyl-2-pyridin-3-ylcyclopropyl)methyl]propan-1-amine
CID 62714424
1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone
CID 94258475
1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347
[(1R)-2-(4-methoxyphenyl)-2-propan-2-ylcyclopropyl]methanamine
CID 105474852
2-ethyl-2-(4-methoxyphenyl)oxirane
CID 62772995
N-[[2-(2,5-dimethylfuran-3-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine
CID 62713891
2-ethyl-1-(4-methoxyphenyl)cyclopropan-1-ol
CID 79332791

Frequently Asked Questions

What is the IUPAC name of N-[[2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine (CID 62714780) is N-[[2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine is CCC1(c2ccc(OC)cc2)CC1CNCC(C)C.
What is the InChIKey of N-[[2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The InChIKey is UAUHFVPPMACBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-17(10-15(17)12-18-11-13(2)3)14-6-8-16(19-4)9-7-14/h6-9,13,15,18H,5,10-12H2,1-4H3.
What are the key properties of N-[[2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
N-[[2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62714780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).