1-(4-bromophenyl)-N-[2-(2-methylpropoxy)ethyl]ethanamine

C14H22BrNO — CID 115676446

IUPAC1-(4-bromophenyl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
SMILESCC(C)COCCNC(C)c1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-11(2)10-17-9-8-16-12(3)13-4-6-14(15)7-5-13/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyBHAAJKRYNNSDFB-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.77
Rot. Bonds7

About 1-(4-bromophenyl)-N-[2-(2-methylpropoxy)ethyl]ethanamine

1-(4-bromophenyl)-N-[2-(2-methylpropoxy)ethyl]ethanamine (PubChem CID 115676446) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[2-(2-methylpropoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
PubChem CID115676446
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name1-(4-bromophenyl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
SMILESCC(C)COCCNC(C)c1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-11(2)10-17-9-8-16-12(3)13-4-6-14(15)7-5-13/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyBHAAJKRYNNSDFB-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.77
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

1-(4-bromophenyl)-N-(2-propoxyethyl)ethanamine
CID 106451818
1-(4-bromophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 112695735
N-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584556
1-[1-(4-bromophenyl)ethyl]-3-[3-(2-methylpropoxy)propyl]urea
CID 42954303
N-[1-(4-bromophenyl)ethyl]-5-methylhexan-1-amine
CID 113287271
N-[1-(4-bromophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62636249
N-[(5-bromo-2-pyridinyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115626597
N-[(1R)-1-(4-bromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 30111376
(1S)-1-(4-bromophenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 104863352
(1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 81357099
N-[2-(2-methylpropoxy)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 115713690
N-[(1S)-1-(4-bromophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 81359086

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[2-(2-methylpropoxy)ethyl]ethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[2-(2-methylpropoxy)ethyl]ethanamine (CID 115676446) is 1-(4-bromophenyl)-N-[2-(2-methylpropoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[2-(2-methylpropoxy)ethyl]ethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[2-(2-methylpropoxy)ethyl]ethanamine is CC(C)COCCNC(C)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[2-(2-methylpropoxy)ethyl]ethanamine?
The InChIKey is BHAAJKRYNNSDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-11(2)10-17-9-8-16-12(3)13-4-6-14(15)7-5-13/h4-7,11-12,16H,8-10H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-N-[2-(2-methylpropoxy)ethyl]ethanamine?
1-(4-bromophenyl)-N-[2-(2-methylpropoxy)ethyl]ethanamine has a molecular weight of 300.24 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[2-(2-methylpropoxy)ethyl]ethanamine is sourced from PubChem (CID 115676446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).