4-[amino-(4-ethoxyphenyl)methyl]-N-methylcyclohexan-1-amine

C16H26N2O — CID 116937243

IUPAC4-[amino-(4-ethoxyphenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCCOc1ccc(C(N)C2CCC(NC)CC2)cc1
InChIInChI=1S/C16H26N2O/c1-3-19-15-10-6-13(7-11-15)16(17)12-4-8-14(18-2)9-5-12/h6-7,10-12,14,16,18H,3-5,8-9,17H2,1-2H3
InChIKeyMZLBNFWUXAALKF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.86
Rot. Bonds5

About 4-[amino-(4-ethoxyphenyl)methyl]-N-methylcyclohexan-1-amine

4-[amino-(4-ethoxyphenyl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 116937243) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[amino-(4-ethoxyphenyl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[amino-(4-ethoxyphenyl)methyl]-N-methylcyclohexan-1-amine
PubChem CID116937243
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[amino-(4-ethoxyphenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCCOc1ccc(C(N)C2CCC(NC)CC2)cc1
InChIInChI=1S/C16H26N2O/c1-3-19-15-10-6-13(7-11-15)16(17)12-4-8-14(18-2)9-5-12/h6-7,10-12,14,16,18H,3-5,8-9,17H2,1-2H3
InChIKeyMZLBNFWUXAALKF-UHFFFAOYSA-N
XLogP2.86
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine
CID 65422984
(4-ethoxyphenyl)-piperidin-3-ylmethanamine
CID 116935799
(4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65415745
2-cyclopropyl-1-(4-ethoxyphenyl)propan-1-amine
CID 83153985
4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027472
(4-ethylcyclohexyl)-(4-propoxyphenyl)methanamine
CID 65393938
[(4-ethoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232452
1-(4-ethoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105140814
(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171230786
(R)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171211184
(R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171205660
(S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171225239

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(4-ethoxyphenyl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[amino-(4-ethoxyphenyl)methyl]-N-methylcyclohexan-1-amine (CID 116937243) is 4-[amino-(4-ethoxyphenyl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[amino-(4-ethoxyphenyl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[amino-(4-ethoxyphenyl)methyl]-N-methylcyclohexan-1-amine is CCOc1ccc(C(N)C2CCC(NC)CC2)cc1.
What is the InChIKey of 4-[amino-(4-ethoxyphenyl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is MZLBNFWUXAALKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-19-15-10-6-13(7-11-15)16(17)12-4-8-14(18-2)9-5-12/h6-7,10-12,14,16,18H,3-5,8-9,17H2,1-2H3.
What are the key properties of 4-[amino-(4-ethoxyphenyl)methyl]-N-methylcyclohexan-1-amine?
4-[amino-(4-ethoxyphenyl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(4-ethoxyphenyl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 116937243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).