(2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine

C17H27NO — CID 107176964

IUPAC(2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine
SMILESCCOc1ccc(C(N)C2CCCCC2(C)C)cc1
InChIInChI=1S/C17H27NO/c1-4-19-14-10-8-13(9-11-14)16(18)15-7-5-6-12-17(15,2)3/h8-11,15-16H,4-7,12,18H2,1-3H3
InChIKeyPWRQEOOKVPQPJR-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.30
Rot. Bonds4

About (2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine

(2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine (PubChem CID 107176964) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine
PubChem CID107176964
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine
SMILESCCOc1ccc(C(N)C2CCCCC2(C)C)cc1
InChIInChI=1S/C17H27NO/c1-4-19-14-10-8-13(9-11-14)16(18)15-7-5-6-12-17(15,2)3/h8-11,15-16H,4-7,12,18H2,1-3H3
InChIKeyPWRQEOOKVPQPJR-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 107177179
3-amino-1-(2,2-dimethylcyclopentyl)-2-(4-ethoxyphenyl)propan-1-ol
CID 107185333
(4-butan-2-ylphenyl)-(2,2-dimethylcyclopentyl)methanamine
CID 107177011
2-bromo-1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-ethoxybenzene
CID 107182502
(4-ethoxyphenyl)-piperidin-2-ylmethanamine
CID 116935668
(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191370
(4-tert-butylphenyl)-(2,2-dimethylcyclopentyl)methanamine
CID 107177014
(2,2-dimethylcyclohexyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 107177030
N-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79860500
(2-bromo-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107177622
(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107193010
N-[(2,2-dimethylcyclohexyl)-(4-methoxyphenyl)methyl]ethanamine
CID 107177352

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine?
The IUPAC name of (2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine (CID 107176964) is (2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine?
The canonical SMILES for (2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine is CCOc1ccc(C(N)C2CCCCC2(C)C)cc1.
What is the InChIKey of (2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine?
The InChIKey is PWRQEOOKVPQPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-19-14-10-8-13(9-11-14)16(18)15-7-5-6-12-17(15,2)3/h8-11,15-16H,4-7,12,18H2,1-3H3.
What are the key properties of (2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine?
(2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine has a molecular weight of 261.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine is sourced from PubChem (CID 107176964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).