N-[(2-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine

C16H24BrN — CID 63451692

IUPACN-[(2-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(CNCc2ccccc2Br)CC1
InChIInChI=1S/C16H24BrN/c1-2-13-7-9-14(10-8-13)11-18-12-15-5-3-4-6-16(15)17/h3-6,13-14,18H,2,7-12H2,1H3
InChIKeyUHEREUCZVMNSGL-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.76
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine

N-[(2-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine (PubChem CID 63451692) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
PubChem CID63451692
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC NameN-[(2-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(CNCc2ccccc2Br)CC1
InChIInChI=1S/C16H24BrN/c1-2-13-7-9-14(10-8-13)11-18-12-15-5-3-4-6-16(15)17/h3-6,13-14,18H,2,7-12H2,1H3
InChIKeyUHEREUCZVMNSGL-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[(4-ethylcyclohexyl)methylamino]methyl]benzene-1,2-diol
CID 61317881
N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 63451744
N-(1,3-benzodioxol-4-ylmethyl)-1-(4-ethylcyclohexyl)methanamine
CID 63451647
2-[(cyclopropylmethylamino)methyl]-N-methylaniline
CID 106703472
N-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 66472811
1-(4-ethylcyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 63451562
2-[[(4-tert-butylcyclohexyl)methylamino]methyl]phenol
CID 114331599
2-[(2-bromophenyl)methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 55186350
2-[(cyclopentylmethylamino)methyl]phenol
CID 43370918
1-[(2-bromophenyl)methyl]-3-(cyclopentylmethyl)urea
CID 108902673
N-[(2-bromophenyl)methyl]-1-(thian-2-yl)methanamine
CID 80600662
N-[(2-bromophenyl)methyl]-1-(1,3-dioxan-4-yl)methanamine
CID 81102425

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine (CID 63451692) is N-[(2-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine is CCC1CCC(CNCc2ccccc2Br)CC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine?
The InChIKey is UHEREUCZVMNSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-2-13-7-9-14(10-8-13)11-18-12-15-5-3-4-6-16(15)17/h3-6,13-14,18H,2,7-12H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine?
N-[(2-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine has a molecular weight of 310.28 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine is sourced from PubChem (CID 63451692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).