N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methoxyphenyl)ethanamine

C15H23NO — CID 113348515

IUPACN-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NCC2CC2(C)C)cc1
InChIInChI=1S/C15H23NO/c1-11(16-10-13-9-15(13,2)3)12-5-7-14(17-4)8-6-12/h5-8,11,13,16H,9-10H2,1-4H3
InChIKeyLXKMDCODBRYCDU-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.39
Rot. Bonds5

About N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methoxyphenyl)ethanamine

N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methoxyphenyl)ethanamine (PubChem CID 113348515) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methoxyphenyl)ethanamine
PubChem CID113348515
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NCC2CC2(C)C)cc1
InChIInChI=1S/C15H23NO/c1-11(16-10-13-9-15(13,2)3)12-5-7-14(17-4)8-6-12/h5-8,11,13,16H,9-10H2,1-4H3
InChIKeyLXKMDCODBRYCDU-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 113348517
N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 103716991
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
(1R)-N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 104889511
(1R)-1-(4-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81370808
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
(1S)-1-(4-methoxyphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634175
(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]but-2-en-1-amine
CID 107899124
(1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371542
(5R)-3-[(1S)-1-(4-methoxyphenyl)ethyl]-5-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]-1,3-oxazolidin-2-one
CID 56968307
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961016

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methoxyphenyl)ethanamine (CID 113348515) is N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(C)NCC2CC2(C)C)cc1.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methoxyphenyl)ethanamine?
The InChIKey is LXKMDCODBRYCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(16-10-13-9-15(13,2)3)12-5-7-14(17-4)8-6-12/h5-8,11,13,16H,9-10H2,1-4H3.
What are the key properties of N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methoxyphenyl)ethanamine?
N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methoxyphenyl)ethanamine has a molecular weight of 233.36 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 113348515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).