N-[2-ethyl-2-[(2-methoxyphenyl)methyl]hexyl]cyclopropanamine

C19H31NO — CID 63509306

IUPACN-[2-ethyl-2-[(2-methoxyphenyl)methyl]hexyl]cyclopropanamine
SMILESCCCCC(CC)(CNC1CC1)Cc1ccccc1OC
InChIInChI=1S/C19H31NO/c1-4-6-13-19(5-2,15-20-17-11-12-17)14-16-9-7-8-10-18(16)21-3/h7-10,17,20H,4-6,11-15H2,1-3H3
InChIKeyPMVYENQIVFKAKZ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.58
Rot. Bonds10

About N-[2-ethyl-2-[(2-methoxyphenyl)methyl]hexyl]cyclopropanamine

N-[2-ethyl-2-[(2-methoxyphenyl)methyl]hexyl]cyclopropanamine (PubChem CID 63509306) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[2-ethyl-2-[(2-methoxyphenyl)methyl]hexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-ethyl-2-[(2-methoxyphenyl)methyl]hexyl]cyclopropanamine
PubChem CID63509306
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[2-ethyl-2-[(2-methoxyphenyl)methyl]hexyl]cyclopropanamine
SMILESCCCCC(CC)(CNC1CC1)Cc1ccccc1OC
InChIInChI=1S/C19H31NO/c1-4-6-13-19(5-2,15-20-17-11-12-17)14-16-9-7-8-10-18(16)21-3/h7-10,17,20H,4-6,11-15H2,1-3H3
InChIKeyPMVYENQIVFKAKZ-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(3,4-dimethylphenyl)methyl]-2-ethylhexyl]cyclopropanamine
CID 63509649
2-ethyl-2-[(2-methoxyphenyl)methyl]-N-propylbutan-1-amine
CID 55106604
1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene
CID 66036060
N-cyclopropyl-2,2-diethyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62259922
N-[2-ethyl-2-(naphthalen-1-ylmethyl)butyl]cyclopropanamine
CID 63509675
N-[2-[(3,5-difluorophenyl)methyl]-2-ethylhexyl]cyclopropanamine
CID 105408236
2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 63509806
N-[2-[(2,3-dichlorophenyl)methyl]-2-ethylbutyl]cyclopropanamine
CID 107309723
2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 55195094
4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 783786
N-tert-butyl-2-ethyl-2-[(2-fluorophenyl)methyl]hexan-1-amine
CID 63508094
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-[(2-methoxyphenyl)methyl]hexyl]cyclopropanamine?
The IUPAC name of N-[2-ethyl-2-[(2-methoxyphenyl)methyl]hexyl]cyclopropanamine (CID 63509306) is N-[2-ethyl-2-[(2-methoxyphenyl)methyl]hexyl]cyclopropanamine.
What is the SMILES notation for N-[2-ethyl-2-[(2-methoxyphenyl)methyl]hexyl]cyclopropanamine?
The canonical SMILES for N-[2-ethyl-2-[(2-methoxyphenyl)methyl]hexyl]cyclopropanamine is CCCCC(CC)(CNC1CC1)Cc1ccccc1OC.
What is the InChIKey of N-[2-ethyl-2-[(2-methoxyphenyl)methyl]hexyl]cyclopropanamine?
The InChIKey is PMVYENQIVFKAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-6-13-19(5-2,15-20-17-11-12-17)14-16-9-7-8-10-18(16)21-3/h7-10,17,20H,4-6,11-15H2,1-3H3.
What are the key properties of N-[2-ethyl-2-[(2-methoxyphenyl)methyl]hexyl]cyclopropanamine?
N-[2-ethyl-2-[(2-methoxyphenyl)methyl]hexyl]cyclopropanamine has a molecular weight of 289.46 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-[(2-methoxyphenyl)methyl]hexyl]cyclopropanamine is sourced from PubChem (CID 63509306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).