N-(2,3-dimethylcyclohexyl)-3-propoxyaniline

C17H27NO — CID 64761419

IUPACN-(2,3-dimethylcyclohexyl)-3-propoxyaniline
SMILESCCCOc1cccc(NC2CCCC(C)C2C)c1
InChIInChI=1S/C17H27NO/c1-4-11-19-16-9-6-8-15(12-16)18-17-10-5-7-13(2)14(17)3/h6,8-9,12-14,17-18H,4-5,7,10-11H2,1-3H3
InChIKeyYFQBYHDPKTTXAL-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.71
Rot. Bonds5

About N-(2,3-dimethylcyclohexyl)-3-propoxyaniline

N-(2,3-dimethylcyclohexyl)-3-propoxyaniline (PubChem CID 64761419) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-3-propoxyaniline.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-3-propoxyaniline
PubChem CID64761419
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(2,3-dimethylcyclohexyl)-3-propoxyaniline
SMILESCCCOc1cccc(NC2CCCC(C)C2C)c1
InChIInChI=1S/C17H27NO/c1-4-11-19-16-9-6-8-15(12-16)18-17-10-5-7-13(2)14(17)3/h6,8-9,12-14,17-18H,4-5,7,10-11H2,1-3H3
InChIKeyYFQBYHDPKTTXAL-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

3-propoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758477
N-(3-propoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853542
1-N-(3-propoxyphenyl)cyclohexane-1,3-diamine
CID 79458462
3-N-(2-methylcyclopentyl)-5-propoxybenzene-1,3-diamine
CID 80735235
3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline
CID 96923143
N-(3-propoxyphenyl)azepan-4-amine
CID 103981177
2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine
CID 55199783
1,1-dioxo-N-(3-propoxyphenyl)thian-4-amine
CID 43693787
N-(3-ethylcyclopentyl)-3-propoxyaniline
CID 64501066
1,1-dioxo-N-(3-propoxyphenyl)thian-3-amine
CID 63909303
3-propoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64753647
N-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43693706

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-3-propoxyaniline?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-3-propoxyaniline (CID 64761419) is N-(2,3-dimethylcyclohexyl)-3-propoxyaniline.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-3-propoxyaniline?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-3-propoxyaniline is CCCOc1cccc(NC2CCCC(C)C2C)c1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-3-propoxyaniline?
The InChIKey is YFQBYHDPKTTXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-11-19-16-9-6-8-15(12-16)18-17-10-5-7-13(2)14(17)3/h6,8-9,12-14,17-18H,4-5,7,10-11H2,1-3H3.
What are the key properties of N-(2,3-dimethylcyclohexyl)-3-propoxyaniline?
N-(2,3-dimethylcyclohexyl)-3-propoxyaniline 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-(2,3-dimethylcyclohexyl)-3-propoxyaniline is sourced from PubChem (CID 64761419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).