N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]cyclopropanamine

C19H29NO — CID 81034431

IUPACN-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCCOc1ccccc1C1CC(C)CCC1CNC1CC1
InChIInChI=1S/C19H29NO/c1-3-21-19-7-5-4-6-17(19)18-12-14(2)8-9-15(18)13-20-16-10-11-16/h4-7,14-16,18,20H,3,8-13H2,1-2H3
InChIKeyQBGWUERVMQCIJC-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.36
Rot. Bonds6

About N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]cyclopropanamine

N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]cyclopropanamine (PubChem CID 81034431) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]cyclopropanamine
PubChem CID81034431
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCCOc1ccccc1C1CC(C)CCC1CNC1CC1
InChIInChI=1S/C19H29NO/c1-3-21-19-7-5-4-6-17(19)18-12-14(2)8-9-15(18)13-20-16-10-11-16/h4-7,14-16,18,20H,3,8-13H2,1-2H3
InChIKeyQBGWUERVMQCIJC-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 81033640
N-[[2-(2-propoxyphenyl)cyclobutyl]methyl]cyclopropanamine
CID 104663455
N-[[2-(furan-3-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031757
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 114747647
cis-(1R,2R)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236736
cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236728
1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine
CID 81028262
[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine
CID 70683433
N-[[2-(3-bromofuran-2-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032438
N-[[2-(2-ethoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62712834
[4-methyl-2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine
CID 81009765
(2R)-2-(2-ethoxyphenyl)azetidine
CID 131015812

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]cyclopropanamine (CID 81034431) is N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]cyclopropanamine is CCOc1ccccc1C1CC(C)CCC1CNC1CC1.
What is the InChIKey of N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is QBGWUERVMQCIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-21-19-7-5-4-6-17(19)18-12-14(2)8-9-15(18)13-20-16-10-11-16/h4-7,14-16,18,20H,3,8-13H2,1-2H3.
What are the key properties of N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]cyclopropanamine?
N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 287.45 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81034431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).