N-[[2-(ethoxymethyl)phenyl]methyl]-2,3-dimethylcyclohexan-1-amine

C18H29NO — CID 64762280

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-2,3-dimethylcyclohexan-1-amine
SMILESCCOCc1ccccc1CNC1CCCC(C)C1C
InChIInChI=1S/C18H29NO/c1-4-20-13-17-10-6-5-9-16(17)12-19-18-11-7-8-14(2)15(18)3/h5-6,9-10,14-15,18-19H,4,7-8,11-13H2,1-3H3
InChIKeyPVBSGDUASBNBCI-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.14
Rot. Bonds6

About N-[[2-(ethoxymethyl)phenyl]methyl]-2,3-dimethylcyclohexan-1-amine

N-[[2-(ethoxymethyl)phenyl]methyl]-2,3-dimethylcyclohexan-1-amine (PubChem CID 64762280) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-2,3-dimethylcyclohexan-1-amine
PubChem CID64762280
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-2,3-dimethylcyclohexan-1-amine
SMILESCCOCc1ccccc1CNC1CCCC(C)C1C
InChIInChI=1S/C18H29NO/c1-4-20-13-17-10-6-5-9-16(17)12-19-18-11-7-8-14(2)15(18)3/h5-6,9-10,14-15,18-19H,4,7-8,11-13H2,1-3H3
InChIKeyPVBSGDUASBNBCI-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2,3-dimethylcyclohexyl)amino]methyl]aniline
CID 66386630
4-[[2-(ethoxymethyl)phenyl]methylamino]oxolan-3-ol
CID 54861693
N-[[2-(ethoxymethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 60924538
N-[(2-bromophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64909294
N-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine
CID 54861796
4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine
CID 79730790
N-[[2-(ethoxymethyl)phenyl]methyl]thian-3-amine
CID 62871996
N-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylpiperidin-4-amine
CID 60924202
methyl 2-[2-[[(2,3-dimethylcyclopentyl)amino]methyl]phenyl]acetate
CID 115462069
N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dimethylpiperidin-4-amine
CID 81300764
N-[(2-ethylphenyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 64682184
1-cyclopropyl-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyrrolidin-3-amine
CID 115708354

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-2,3-dimethylcyclohexan-1-amine (CID 64762280) is N-[[2-(ethoxymethyl)phenyl]methyl]-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-2,3-dimethylcyclohexan-1-amine is CCOCc1ccccc1CNC1CCCC(C)C1C.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-2,3-dimethylcyclohexan-1-amine?
The InChIKey is PVBSGDUASBNBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-20-13-17-10-6-5-9-16(17)12-19-18-11-7-8-14(2)15(18)3/h5-6,9-10,14-15,18-19H,4,7-8,11-13H2,1-3H3.
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-2,3-dimethylcyclohexan-1-amine?
N-[[2-(ethoxymethyl)phenyl]methyl]-2,3-dimethylcyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64762280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).