N-[2-(3-bromophenoxy)ethyl]-3-ethylcyclohexan-1-amine

C16H24BrNO — CID 64742220

IUPACN-[2-(3-bromophenoxy)ethyl]-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(NCCOc2cccc(Br)c2)C1
InChIInChI=1S/C16H24BrNO/c1-2-13-5-3-7-15(11-13)18-9-10-19-16-8-4-6-14(17)12-16/h4,6,8,12-13,15,18H,2-3,5,7,9-11H2,1H3
InChIKeyNFMIHCHGBZXRLL-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.39
Rot. Bonds6

About N-[2-(3-bromophenoxy)ethyl]-3-ethylcyclohexan-1-amine

N-[2-(3-bromophenoxy)ethyl]-3-ethylcyclohexan-1-amine (PubChem CID 64742220) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethyl]-3-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethyl]-3-ethylcyclohexan-1-amine
PubChem CID64742220
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[2-(3-bromophenoxy)ethyl]-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(NCCOc2cccc(Br)c2)C1
InChIInChI=1S/C16H24BrNO/c1-2-13-5-3-7-15(11-13)18-9-10-19-16-8-4-6-14(17)12-16/h4,6,8,12-13,15,18H,2-3,5,7,9-11H2,1H3
InChIKeyNFMIHCHGBZXRLL-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.39
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-bromophenoxy)ethyl]-2,6-dimethylpiperidin-1-amine
CID 83021328
3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 103698599
4-[2-(3-bromophenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 60809216
N-[2-(3-bromophenoxy)ethyl]-2-(chloromethyl)cyclopentan-1-amine
CID 114179259
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
3-[2-(3-bromophenoxy)ethylamino]piperidin-2-one
CID 55033106
1-bromo-3-[2-(cyclopentylmethoxy)ethoxy]benzene
CID 66321596
1-bromo-3-(cyclopropylmethoxy)benzene;ethane
CID 142361596
4-bromo-2-[[(3-ethylcyclohexyl)amino]methyl]phenol
CID 107737894
1-(3-chlorophenoxy)-3-[(3-ethylcyclohexyl)amino]propan-2-ol
CID 64741452
3-(3-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015667
2-(3-bromophenoxy)-N-(dicyclopropylmethyl)ethanamine
CID 55024241

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethyl]-3-ethylcyclohexan-1-amine?
The IUPAC name of N-[2-(3-bromophenoxy)ethyl]-3-ethylcyclohexan-1-amine (CID 64742220) is N-[2-(3-bromophenoxy)ethyl]-3-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethyl]-3-ethylcyclohexan-1-amine?
The canonical SMILES for N-[2-(3-bromophenoxy)ethyl]-3-ethylcyclohexan-1-amine is CCC1CCCC(NCCOc2cccc(Br)c2)C1.
What is the InChIKey of N-[2-(3-bromophenoxy)ethyl]-3-ethylcyclohexan-1-amine?
The InChIKey is NFMIHCHGBZXRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-2-13-5-3-7-15(11-13)18-9-10-19-16-8-4-6-14(17)12-16/h4,6,8,12-13,15,18H,2-3,5,7,9-11H2,1H3.
What are the key properties of N-[2-(3-bromophenoxy)ethyl]-3-ethylcyclohexan-1-amine?
N-[2-(3-bromophenoxy)ethyl]-3-ethylcyclohexan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)ethyl]-3-ethylcyclohexan-1-amine is sourced from PubChem (CID 64742220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).