N-[[3-bromo-4-(cyclohexylmethoxymethyl)phenyl]methyl]ethanamine

C17H26BrNO — CID 102773481

IUPACN-[[3-bromo-4-(cyclohexylmethoxymethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(COCC2CCCCC2)c(Br)c1
InChIInChI=1S/C17H26BrNO/c1-2-19-11-15-8-9-16(17(18)10-15)13-20-12-14-6-4-3-5-7-14/h8-10,14,19H,2-7,11-13H2,1H3
InChIKeyZARXQANXTUUSIT-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.66
Rot. Bonds7

About N-[[3-bromo-4-(cyclohexylmethoxymethyl)phenyl]methyl]ethanamine

N-[[3-bromo-4-(cyclohexylmethoxymethyl)phenyl]methyl]ethanamine (PubChem CID 102773481) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[[3-bromo-4-(cyclohexylmethoxymethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-bromo-4-(cyclohexylmethoxymethyl)phenyl]methyl]ethanamine
PubChem CID102773481
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC NameN-[[3-bromo-4-(cyclohexylmethoxymethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(COCC2CCCCC2)c(Br)c1
InChIInChI=1S/C17H26BrNO/c1-2-19-11-15-8-9-16(17(18)10-15)13-20-12-14-6-4-3-5-7-14/h8-10,14,19H,2-7,11-13H2,1H3
InChIKeyZARXQANXTUUSIT-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-bromo-4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine
CID 102773976
N-[[3-bromo-4-(methoxymethyl)phenyl]methyl]ethanamine
CID 102772329
N-[[3-bromo-4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]ethanamine
CID 103406158
N-[[3-bromo-4-[(1-methylpiperidin-4-yl)oxymethyl]phenyl]methyl]ethanamine
CID 102772256
N-[[3-bromo-4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine
CID 106205920
1-[3-bromo-4-(2-cyclobutylethoxymethyl)phenyl]-N-methylmethanamine
CID 106206004
N-[[4-[[bis(cyclopropylmethyl)amino]methyl]-3-bromophenyl]methyl]ethanamine
CID 102771251
N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine
CID 63045514
1-[3-(cyclohexylmethoxymethyl)-4-fluorophenyl]-N-methylmethanamine
CID 107457623
N-[[3-bromo-4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 102769477
2-bromo-4-(cyclopentylmethoxymethyl)-1-fluorobenzene
CID 66322231
[4-(cyclohexylmethoxymethyl)-3-methylphenyl]methanamine
CID 114479387

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-(cyclohexylmethoxymethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-bromo-4-(cyclohexylmethoxymethyl)phenyl]methyl]ethanamine (CID 102773481) is N-[[3-bromo-4-(cyclohexylmethoxymethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-bromo-4-(cyclohexylmethoxymethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-bromo-4-(cyclohexylmethoxymethyl)phenyl]methyl]ethanamine is CCNCc1ccc(COCC2CCCCC2)c(Br)c1.
What is the InChIKey of N-[[3-bromo-4-(cyclohexylmethoxymethyl)phenyl]methyl]ethanamine?
The InChIKey is ZARXQANXTUUSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-2-19-11-15-8-9-16(17(18)10-15)13-20-12-14-6-4-3-5-7-14/h8-10,14,19H,2-7,11-13H2,1H3.
What are the key properties of N-[[3-bromo-4-(cyclohexylmethoxymethyl)phenyl]methyl]ethanamine?
N-[[3-bromo-4-(cyclohexylmethoxymethyl)phenyl]methyl]ethanamine has a molecular weight of 340.31 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-(cyclohexylmethoxymethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 102773481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).