2-(methoxymethyl)-N-(4-propan-2-ylcyclohexyl)aniline

C17H27NO — CID 62701624

IUPAC2-(methoxymethyl)-N-(4-propan-2-ylcyclohexyl)aniline
SMILESCOCc1ccccc1NC1CCC(C(C)C)CC1
InChIInChI=1S/C17H27NO/c1-13(2)14-8-10-16(11-9-14)18-17-7-5-4-6-15(17)12-19-3/h4-7,13-14,16,18H,8-12H2,1-3H3
InChIKeyNLRNJHFXCLEMRM-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.46
Rot. Bonds5

About 2-(methoxymethyl)-N-(4-propan-2-ylcyclohexyl)aniline

2-(methoxymethyl)-N-(4-propan-2-ylcyclohexyl)aniline (PubChem CID 62701624) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-(4-propan-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name2-(methoxymethyl)-N-(4-propan-2-ylcyclohexyl)aniline
PubChem CID62701624
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(methoxymethyl)-N-(4-propan-2-ylcyclohexyl)aniline
SMILESCOCc1ccccc1NC1CCC(C(C)C)CC1
InChIInChI=1S/C17H27NO/c1-13(2)14-8-10-16(11-9-14)18-17-7-5-4-6-15(17)12-19-3/h4-7,13-14,16,18H,8-12H2,1-3H3
InChIKeyNLRNJHFXCLEMRM-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(methoxymethyl)phenyl]cyclooctanamine
CID 43677867
N-[2-(methoxymethyl)phenyl]-1-propan-2-ylpiperidin-4-amine
CID 43677869
N-(1-cyclopropylethyl)-2-(methoxymethyl)aniline
CID 43677996
4-tert-butyl-N-[2-(methoxymethyl)phenyl]cycloheptan-1-amine
CID 65089478
N-[2-(methoxymethyl)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 65084084
N-[2-(methoxymethyl)phenyl]-4-propylcycloheptan-1-amine
CID 65086704
2-propan-2-yl-N-(4-propan-2-ylcyclohexyl)aniline
CID 63419203
2-[(dimethylamino)methyl]-N-(3-propan-2-ylcyclohexyl)aniline
CID 107448283
trans-(1R,2R)-2-[2-(methoxymethyl)anilino]cyclohexan-1-ol
CID 94220692
N-cyclobutyl-2-(2-methoxyethyl)aniline
CID 102848928
N-[2-(ethoxymethyl)phenyl]cycloheptanamine
CID 43750302
N-(4-ethylcyclohexyl)-2-(2-methoxyethyl)aniline
CID 102903852

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-(4-propan-2-ylcyclohexyl)aniline?
The IUPAC name of 2-(methoxymethyl)-N-(4-propan-2-ylcyclohexyl)aniline (CID 62701624) is 2-(methoxymethyl)-N-(4-propan-2-ylcyclohexyl)aniline.
What is the SMILES notation for 2-(methoxymethyl)-N-(4-propan-2-ylcyclohexyl)aniline?
The canonical SMILES for 2-(methoxymethyl)-N-(4-propan-2-ylcyclohexyl)aniline is COCc1ccccc1NC1CCC(C(C)C)CC1.
What is the InChIKey of 2-(methoxymethyl)-N-(4-propan-2-ylcyclohexyl)aniline?
The InChIKey is NLRNJHFXCLEMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)14-8-10-16(11-9-14)18-17-7-5-4-6-15(17)12-19-3/h4-7,13-14,16,18H,8-12H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-N-(4-propan-2-ylcyclohexyl)aniline?
2-(methoxymethyl)-N-(4-propan-2-ylcyclohexyl)aniline has a molecular weight of 261.41 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-(4-propan-2-ylcyclohexyl)aniline is sourced from PubChem (CID 62701624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).