2,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]cyclohexan-1-amine

C17H27NO — CID 64761505

IUPAC2,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]cyclohexan-1-amine
SMILESCc1cccc(OCCNC2CC(C)CCC2C)c1
InChIInChI=1S/C17H27NO/c1-13-5-4-6-16(11-13)19-10-9-18-17-12-14(2)7-8-15(17)3/h4-6,11,14-15,17-18H,7-10,12H2,1-3H3
InChIKeyQONAGNNXMPNMLZ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.79
Rot. Bonds5

About 2,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]cyclohexan-1-amine

2,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]cyclohexan-1-amine (PubChem CID 64761505) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]cyclohexan-1-amine
PubChem CID64761505
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]cyclohexan-1-amine
SMILESCc1cccc(OCCNC2CC(C)CCC2C)c1
InChIInChI=1S/C17H27NO/c1-13-5-4-6-16(11-13)19-10-9-18-17-12-14(2)7-8-15(17)3/h4-6,11,14-15,17-18H,7-10,12H2,1-3H3
InChIKeyQONAGNNXMPNMLZ-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
2,4,4-trimethyl-N-[2-(3-methylphenoxy)ethyl]cyclopentan-1-amine
CID 106662415
2-[2-(3-methylphenoxy)ethylamino]cyclohexane-1-carbonitrile
CID 62741177
2-[2-(3-methylphenoxy)ethylamino]cyclopentane-1-carbonitrile
CID 62742075
1,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidin-4-amine
CID 81334394
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 62584366
2-methyl-N-(3-phenoxypropyl)cyclopropan-1-amine
CID 62936608
N-[2-(3-tert-butylphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 63517538
N-[2-(3-methylphenoxy)ethyl]spiro[3.5]nonan-3-amine
CID 102951726
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine
CID 62982691
N,N-dimethyl-3-[2-[(2-methylcyclohexyl)amino]ethoxy]aniline
CID 62585348
1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone
CID 60664116

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 2,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]cyclohexan-1-amine (CID 64761505) is 2,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]cyclohexan-1-amine is Cc1cccc(OCCNC2CC(C)CCC2C)c1.
What is the InChIKey of 2,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]cyclohexan-1-amine?
The InChIKey is QONAGNNXMPNMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-5-4-6-16(11-13)19-10-9-18-17-12-14(2)7-8-15(17)3/h4-6,11,14-15,17-18H,7-10,12H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]cyclohexan-1-amine?
2,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]cyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 64761505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).