3-bromo-N-(2-ethoxyethyl)-N-methyl-2-phenylpropan-1-amine

C14H22BrNO — CID 81062061

IUPAC3-bromo-N-(2-ethoxyethyl)-N-methyl-2-phenylpropan-1-amine
SMILESCCOCCN(C)CC(CBr)c1ccccc1
InChIInChI=1S/C14H22BrNO/c1-3-17-10-9-16(2)12-14(11-15)13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3
InChIKeyUHGKLKADZZMNFA-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.13
Rot. Bonds8

About 3-bromo-N-(2-ethoxyethyl)-N-methyl-2-phenylpropan-1-amine

3-bromo-N-(2-ethoxyethyl)-N-methyl-2-phenylpropan-1-amine (PubChem CID 81062061) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 3-bromo-N-(2-ethoxyethyl)-N-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-bromo-N-(2-ethoxyethyl)-N-methyl-2-phenylpropan-1-amine
PubChem CID81062061
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name3-bromo-N-(2-ethoxyethyl)-N-methyl-2-phenylpropan-1-amine
SMILESCCOCCN(C)CC(CBr)c1ccccc1
InChIInChI=1S/C14H22BrNO/c1-3-17-10-9-16(2)12-14(11-15)13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3
InChIKeyUHGKLKADZZMNFA-UHFFFAOYSA-N
XLogP3.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyethyl)-N-methyl-2-phenylbutan-1-amine
CID 71031505
3-bromo-N-(2-ethoxyethyl)-N-ethyl-2-phenylpropan-1-amine
CID 65015028
3-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-phenylpropan-1-amine
CID 65015149
N,3-dimethyl-N-(2-phenylbutyl)butan-1-amine
CID 66612939
1-bromo-3-[2-ethoxyethyl(methyl)amino]propan-2-ol
CID 112561814
3-bromo-N-[(4-methoxyphenyl)methyl]-N-methyl-2-phenylpropan-1-amine
CID 65016198
N-(3-bromo-2-phenylpropyl)-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107870804
3-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-phenylpropan-1-amine
CID 65015369
N'-(2-ethoxyethyl)-N'-methyl-1-naphthalen-2-ylethane-1,2-diamine
CID 81055908
2-N-(3-bromo-2-phenylpropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190648
N',N'-bis(2-ethoxyethyl)-1-phenylpropane-1,3-diamine
CID 82942072
N'-(2-ethoxyethyl)-N-ethyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 81059330

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-ethoxyethyl)-N-methyl-2-phenylpropan-1-amine?
The IUPAC name of 3-bromo-N-(2-ethoxyethyl)-N-methyl-2-phenylpropan-1-amine (CID 81062061) is 3-bromo-N-(2-ethoxyethyl)-N-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 3-bromo-N-(2-ethoxyethyl)-N-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 3-bromo-N-(2-ethoxyethyl)-N-methyl-2-phenylpropan-1-amine is CCOCCN(C)CC(CBr)c1ccccc1.
What is the InChIKey of 3-bromo-N-(2-ethoxyethyl)-N-methyl-2-phenylpropan-1-amine?
The InChIKey is UHGKLKADZZMNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-3-17-10-9-16(2)12-14(11-15)13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3.
What are the key properties of 3-bromo-N-(2-ethoxyethyl)-N-methyl-2-phenylpropan-1-amine?
3-bromo-N-(2-ethoxyethyl)-N-methyl-2-phenylpropan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-ethoxyethyl)-N-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 81062061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).