N-[2-(2,6-dichlorophenoxy)ethyl]-3-methylcyclohexan-1-amine

C15H21Cl2NO — CID 63517342

IUPACN-[2-(2,6-dichlorophenoxy)ethyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCCOc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C15H21Cl2NO/c1-11-4-2-5-12(10-11)18-8-9-19-15-13(16)6-3-7-14(15)17/h3,6-7,11-12,18H,2,4-5,8-10H2,1H3
InChIKeyYPOTYZCGUBJLHY-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.54
Rot. Bonds5

About N-[2-(2,6-dichlorophenoxy)ethyl]-3-methylcyclohexan-1-amine

N-[2-(2,6-dichlorophenoxy)ethyl]-3-methylcyclohexan-1-amine (PubChem CID 63517342) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenoxy)ethyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenoxy)ethyl]-3-methylcyclohexan-1-amine
PubChem CID63517342
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC NameN-[2-(2,6-dichlorophenoxy)ethyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCCOc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C15H21Cl2NO/c1-11-4-2-5-12(10-11)18-8-9-19-15-13(16)6-3-7-14(15)17/h3,6-7,11-12,18H,2,4-5,8-10H2,1H3
InChIKeyYPOTYZCGUBJLHY-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.54
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

3-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]cyclohexan-1-amine
CID 63505530
N-[2-(2-chloro-6-methylphenoxy)ethyl]cyclopentanamine
CID 39760880
3-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]cyclohexan-1-amine
CID 103290276
3-methyl-N-[2-(2-propoxyphenoxy)ethyl]cyclohexan-1-amine
CID 62571085
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317453
N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylcyclohexan-1-amine
CID 65130563
2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 112554031
trans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine
CID 93051534
4-[2-[(3-methylcyclohexyl)amino]ethoxy]benzoic acid
CID 103237686
3-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 43317418
N-[2-(furan-2-ylmethoxy)ethyl]-3-methylcyclohexan-1-amine
CID 62565180
N-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine
CID 62599325

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenoxy)ethyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[2-(2,6-dichlorophenoxy)ethyl]-3-methylcyclohexan-1-amine (CID 63517342) is N-[2-(2,6-dichlorophenoxy)ethyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(2,6-dichlorophenoxy)ethyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-(2,6-dichlorophenoxy)ethyl]-3-methylcyclohexan-1-amine is CC1CCCC(NCCOc2c(Cl)cccc2Cl)C1.
What is the InChIKey of N-[2-(2,6-dichlorophenoxy)ethyl]-3-methylcyclohexan-1-amine?
The InChIKey is YPOTYZCGUBJLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-11-4-2-5-12(10-11)18-8-9-19-15-13(16)6-3-7-14(15)17/h3,6-7,11-12,18H,2,4-5,8-10H2,1H3.
What are the key properties of N-[2-(2,6-dichlorophenoxy)ethyl]-3-methylcyclohexan-1-amine?
N-[2-(2,6-dichlorophenoxy)ethyl]-3-methylcyclohexan-1-amine has a molecular weight of 302.24 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenoxy)ethyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 63517342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).