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

C17H27NO — CID 79861979

IUPACN-[(2-ethoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCCOc1ccccc1CNC1CCCCC1(C)C
InChIInChI=1S/C17H27NO/c1-4-19-15-10-6-5-9-14(15)13-18-16-11-7-8-12-17(16,2)3/h5-6,9-10,16,18H,4,7-8,11-13H2,1-3H3
InChIKeyCEMNXEXQPZDDNX-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.14
Rot. Bonds5

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

N-[(2-ethoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine (PubChem CID 79861979) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
PubChem CID79861979
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
SMILESCCOc1ccccc1CNC1CCCCC1(C)C
InChIInChI=1S/C17H27NO/c1-4-19-15-10-6-5-9-14(15)13-18-16-11-7-8-12-17(16,2)3/h5-6,9-10,16,18H,4,7-8,11-13H2,1-3H3
InChIKeyCEMNXEXQPZDDNX-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2,2-dimethylcyclohexyl)amino]methyl]-6-ethoxyphenol
CID 79861425
2,2-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclopentan-1-amine
CID 79861790
N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
CID 6460007
N-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79984326
N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79860027
3-[[(2,2-dimethylcyclohexyl)amino]methyl]pyridine-2-carbonitrile
CID 79871903
N-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79835366
2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol
CID 79861822
N-[(2,6-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79861181
N-[2-(2-fluorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79828913
N-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 106862872
2,2-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopentan-1-amine
CID 79860528

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine (CID 79861979) is N-[(2-ethoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine is CCOc1ccccc1CNC1CCCCC1(C)C.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
The InChIKey is CEMNXEXQPZDDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-19-15-10-6-5-9-14(15)13-18-16-11-7-8-12-17(16,2)3/h5-6,9-10,16,18H,4,7-8,11-13H2,1-3H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine?
N-[(2-ethoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79861979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).