1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine

C12H18BrN — CID 60819212

IUPAC1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1cccc(Br)c1)C(C)C
InChIInChI=1S/C12H18BrN/c1-4-14-12(9(2)3)10-6-5-7-11(13)8-10/h5-9,12,14H,4H2,1-3H3
InChIKeyFYFNIEBVQODGRQ-UHFFFAOYSA-N
MW256.19 g/mol
LogP3.76
Rot. Bonds4

About 1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine

1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine (PubChem CID 60819212) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine
PubChem CID60819212
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC Name1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(c1cccc(Br)c1)C(C)C
InChIInChI=1S/C12H18BrN/c1-4-14-12(9(2)3)10-6-5-7-11(13)8-10/h5-9,12,14H,4H2,1-3H3
InChIKeyFYFNIEBVQODGRQ-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62395894
N-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 43225620
1-[3-(3-bromophenyl)phenyl]-N-ethylethanamine
CID 113324686
N-[1-(3-bromophenyl)ethyl]butan-1-amine
CID 43192396
2-(3-bromophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine
CID 64634165
1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
CID 79575057
2-(3-bromophenyl)sulfinyl-N-ethyl-1-phenylpropan-1-amine
CID 64657598
1-(3-bromophenyl)-N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
CID 63494741
N-[(3-bromophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 43488257
N-[(3-bromofuran-2-yl)-(3-bromophenyl)methyl]ethanamine
CID 63943224
1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine
CID 60819896
2-[[1-(3-bromophenyl)-2-methylpropyl]amino]hept-1-ene-3,5-dione
CID 70575002

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine (CID 60819212) is 1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine is CCNC(c1cccc(Br)c1)C(C)C.
What is the InChIKey of 1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is FYFNIEBVQODGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-4-14-12(9(2)3)10-6-5-7-11(13)8-10/h5-9,12,14H,4H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine?
1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 256.19 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 60819212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).