N-(3-methylcyclohexyl)-2-(2-methylpropoxy)aniline

C17H27NO — CID 63453489

IUPACN-(3-methylcyclohexyl)-2-(2-methylpropoxy)aniline
SMILESCC(C)COc1ccccc1NC1CCCC(C)C1
InChIInChI=1S/C17H27NO/c1-13(2)12-19-17-10-5-4-9-16(17)18-15-8-6-7-14(3)11-15/h4-5,9-10,13-15,18H,6-8,11-12H2,1-3H3
InChIKeyBTONBVGNOMMGFU-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.71
Rot. Bonds5

About N-(3-methylcyclohexyl)-2-(2-methylpropoxy)aniline

N-(3-methylcyclohexyl)-2-(2-methylpropoxy)aniline (PubChem CID 63453489) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-2-(2-methylpropoxy)aniline.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-2-(2-methylpropoxy)aniline
PubChem CID63453489
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(3-methylcyclohexyl)-2-(2-methylpropoxy)aniline
SMILESCC(C)COc1ccccc1NC1CCCC(C)C1
InChIInChI=1S/C17H27NO/c1-13(2)12-19-17-10-5-4-9-16(17)18-15-8-6-7-14(3)11-15/h4-5,9-10,13-15,18H,6-8,11-12H2,1-3H3
InChIKeyBTONBVGNOMMGFU-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2-(2-methylpropoxy)aniline
CID 54864910
2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline
CID 43106368
1-ethyl-N-[2-(2-methylpropoxy)phenyl]piperidin-4-amine
CID 60934851
N-(3,3-dimethylcyclopentyl)-2-(2-methylpropoxy)aniline
CID 80706319
2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline
CID 95376142
N-[2-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 63453271
N-[2-(difluoromethoxy)phenyl]-4-methylcycloheptan-1-amine
CID 65081271
N-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline
CID 106871886
N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 54848643
N-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline
CID 54864889
1-N-(2-ethoxyphenyl)cyclohexane-1,3-diamine
CID 79459001
3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 43432544

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-2-(2-methylpropoxy)aniline?
The IUPAC name of N-(3-methylcyclohexyl)-2-(2-methylpropoxy)aniline (CID 63453489) is N-(3-methylcyclohexyl)-2-(2-methylpropoxy)aniline.
What is the SMILES notation for N-(3-methylcyclohexyl)-2-(2-methylpropoxy)aniline?
The canonical SMILES for N-(3-methylcyclohexyl)-2-(2-methylpropoxy)aniline is CC(C)COc1ccccc1NC1CCCC(C)C1.
What is the InChIKey of N-(3-methylcyclohexyl)-2-(2-methylpropoxy)aniline?
The InChIKey is BTONBVGNOMMGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)12-19-17-10-5-4-9-16(17)18-15-8-6-7-14(3)11-15/h4-5,9-10,13-15,18H,6-8,11-12H2,1-3H3.
What are the key properties of N-(3-methylcyclohexyl)-2-(2-methylpropoxy)aniline?
N-(3-methylcyclohexyl)-2-(2-methylpropoxy)aniline has a molecular weight of 261.41 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-2-(2-methylpropoxy)aniline is sourced from PubChem (CID 63453489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).