4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine

C16H26N2O — CID 79730790

IUPAC4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine
SMILESCCOCc1ccccc1CNC1CCC(N)CC1
InChIInChI=1S/C16H26N2O/c1-2-19-12-14-6-4-3-5-13(14)11-18-16-9-7-15(17)8-10-16/h3-6,15-16,18H,2,7-12,17H2,1H3
InChIKeyMKRJFKKWZFDDLC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.58
Rot. Bonds6

About 4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine

4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine (PubChem CID 79730790) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine
PubChem CID79730790
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine
SMILESCCOCc1ccccc1CNC1CCC(N)CC1
InChIInChI=1S/C16H26N2O/c1-2-19-12-14-6-4-3-5-13(14)11-18-16-9-7-15(17)8-10-16/h3-6,15-16,18H,2,7-12,17H2,1H3
InChIKeyMKRJFKKWZFDDLC-UHFFFAOYSA-N
XLogP2.58
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine
CID 55067066
N-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine
CID 54861796
N-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylpiperidin-4-amine
CID 60924202
N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine
CID 62450085
N-[[2-(ethoxymethyl)phenyl]methyl]thian-3-amine
CID 62871996
N-[[2-(ethoxymethyl)phenyl]methyl]-1,1-dioxothiolan-3-amine
CID 54861845
4-N-[(2-chlorophenyl)methyl]cyclohexane-1,4-diamine;hydrochloride
CID 66569865
N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dimethylpiperidin-4-amine
CID 81300764
1-cyclopropyl-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyrrolidin-3-amine
CID 115708354
N-[[2-[(4-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125367
4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]cycloheptan-1-amine
CID 65083589
N-[[2-(ethoxymethyl)phenyl]methyl]-2,3-dimethylcyclohexan-1-amine
CID 64762280

Frequently Asked Questions

What is the IUPAC name of 4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine (CID 79730790) is 4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine is CCOCc1ccccc1CNC1CCC(N)CC1.
What is the InChIKey of 4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine?
The InChIKey is MKRJFKKWZFDDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-19-12-14-6-4-3-5-13(14)11-18-16-9-7-15(17)8-10-16/h3-6,15-16,18H,2,7-12,17H2,1H3.
What are the key properties of 4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine?
4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79730790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).