2-[(2-bromophenyl)methyl]-4-ethyl-N-(2-methoxyethyl)hexan-1-amine

C18H30BrNO — CID 82926038

IUPAC2-[(2-bromophenyl)methyl]-4-ethyl-N-(2-methoxyethyl)hexan-1-amine
SMILESCCC(CC)CC(CNCCOC)Cc1ccccc1Br
InChIInChI=1S/C18H30BrNO/c1-4-15(5-2)12-16(14-20-10-11-21-3)13-17-8-6-7-9-18(17)19/h6-9,15-16,20H,4-5,10-14H2,1-3H3
InChIKeyMWGWBUGQPVMDFP-UHFFFAOYSA-N
MW356.35 g/mol
LogP4.67
Rot. Bonds11

About 2-[(2-bromophenyl)methyl]-4-ethyl-N-(2-methoxyethyl)hexan-1-amine

2-[(2-bromophenyl)methyl]-4-ethyl-N-(2-methoxyethyl)hexan-1-amine (PubChem CID 82926038) has the molecular formula C18H30BrNO and a molecular weight of 356.35 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-4-ethyl-N-(2-methoxyethyl)hexan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-4-ethyl-N-(2-methoxyethyl)hexan-1-amine
PubChem CID82926038
Molecular FormulaC18H30BrNO
Molecular Weight356.35 g/mol
Exact Mass355.15
IUPAC Name2-[(2-bromophenyl)methyl]-4-ethyl-N-(2-methoxyethyl)hexan-1-amine
SMILESCCC(CC)CC(CNCCOC)Cc1ccccc1Br
InChIInChI=1S/C18H30BrNO/c1-4-15(5-2)12-16(14-20-10-11-21-3)13-17-8-6-7-9-18(17)19/h6-9,15-16,20H,4-5,10-14H2,1-3H3
InChIKeyMWGWBUGQPVMDFP-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 54.67
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

2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 62718705
2-[(2-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propan-2-yloxybutan-1-amine
CID 62719056
2-[(2-bromophenyl)methyl]-N-ethyl-4-methoxypentan-1-amine
CID 113382947
2-N-[(2-bromophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62570545
2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine
CID 103984660
2-[(2-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 103984662
2-[(2-bromophenyl)methyl]-4-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine
CID 115943389
2-[(2-bromophenyl)methyl]-5-methoxy-N-methylpentan-1-amine
CID 62515977
2-[(2-bromophenyl)methyl]-4-(2-methylpropoxy)-N-propylbutan-1-amine
CID 106456752
3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 62603094
2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 62725640
1-bromo-2-[2-(bromomethyl)-3-methoxypropyl]benzene
CID 103985183

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-4-ethyl-N-(2-methoxyethyl)hexan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-4-ethyl-N-(2-methoxyethyl)hexan-1-amine (CID 82926038) is 2-[(2-bromophenyl)methyl]-4-ethyl-N-(2-methoxyethyl)hexan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-4-ethyl-N-(2-methoxyethyl)hexan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-4-ethyl-N-(2-methoxyethyl)hexan-1-amine is CCC(CC)CC(CNCCOC)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-4-ethyl-N-(2-methoxyethyl)hexan-1-amine?
The InChIKey is MWGWBUGQPVMDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrNO/c1-4-15(5-2)12-16(14-20-10-11-21-3)13-17-8-6-7-9-18(17)19/h6-9,15-16,20H,4-5,10-14H2,1-3H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-4-ethyl-N-(2-methoxyethyl)hexan-1-amine?
2-[(2-bromophenyl)methyl]-4-ethyl-N-(2-methoxyethyl)hexan-1-amine has a molecular weight of 356.35 g/mol, XLogP of 4.67, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-4-ethyl-N-(2-methoxyethyl)hexan-1-amine is sourced from PubChem (CID 82926038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).