N-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine

C17H27NO — CID 63994455

IUPACN-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCCOc1ccc(CNC2CCC(C)CC2C)cc1
InChIInChI=1S/C17H27NO/c1-4-19-16-8-6-15(7-9-16)12-18-17-10-5-13(2)11-14(17)3/h6-9,13-14,17-18H,4-5,10-12H2,1-3H3
InChIKeyAYZVDSREPCBMDY-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.00
Rot. Bonds5

About N-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine

N-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 63994455) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID63994455
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCCOc1ccc(CNC2CCC(C)CC2C)cc1
InChIInChI=1S/C17H27NO/c1-4-19-16-8-6-15(7-9-16)12-18-17-10-5-13(2)11-14(17)3/h6-9,13-14,17-18H,4-5,10-12H2,1-3H3
InChIKeyAYZVDSREPCBMDY-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine (CID 63994455) is N-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine is CCOc1ccc(CNC2CCC(C)CC2C)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is AYZVDSREPCBMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-19-16-8-6-15(7-9-16)12-18-17-10-5-13(2)11-14(17)3/h6-9,13-14,17-18H,4-5,10-12H2,1-3H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine?
N-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 63994455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).