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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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).