1-(2-bromophenyl)-N-ethyl-4,4-dimethylpentan-3-amine

C15H24BrN — CID 54891491

IUPAC1-(2-bromophenyl)-N-ethyl-4,4-dimethylpentan-3-amine
SMILESCCNC(CCc1ccccc1Br)C(C)(C)C
InChIInChI=1S/C15H24BrN/c1-5-17-14(15(2,3)4)11-10-12-8-6-7-9-13(12)16/h6-9,14,17H,5,10-11H2,1-4H3
InChIKeyRPBOUCCHNMODCM-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.41
Rot. Bonds5

About 1-(2-bromophenyl)-N-ethyl-4,4-dimethylpentan-3-amine

1-(2-bromophenyl)-N-ethyl-4,4-dimethylpentan-3-amine (PubChem CID 54891491) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-ethyl-4,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-ethyl-4,4-dimethylpentan-3-amine
PubChem CID54891491
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC Name1-(2-bromophenyl)-N-ethyl-4,4-dimethylpentan-3-amine
SMILESCCNC(CCc1ccccc1Br)C(C)(C)C
InChIInChI=1S/C15H24BrN/c1-5-17-14(15(2,3)4)11-10-12-8-6-7-9-13(12)16/h6-9,14,17H,5,10-11H2,1-4H3
InChIKeyRPBOUCCHNMODCM-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-3-amine
CID 65322935
4-(2-bromophenyl)-N-ethyl-1-methoxybutan-2-amine
CID 62318544
1-(2-bromophenyl)sulfanyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64614328
N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine
CID 62600038
1-(2-bromophenyl)heptane-3,4-diol
CID 83924175
2-[2-(ethylamino)-3,3-dimethylbutyl]benzenesulfonamide
CID 63198012
N-ethyl-4,4-dimethyl-1-phenoxypentan-3-amine
CID 62394669
1-bromo-2-propylbenzene;formaldehyde
CID 174375700
1-(2-bromophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105087369
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 65325556
4-(2-bromophenyl)-2-methylbutan-1-amine
CID 64664319
N-ethyl-4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-amine
CID 79994930

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-ethyl-4,4-dimethylpentan-3-amine?
The IUPAC name of 1-(2-bromophenyl)-N-ethyl-4,4-dimethylpentan-3-amine (CID 54891491) is 1-(2-bromophenyl)-N-ethyl-4,4-dimethylpentan-3-amine.
What is the SMILES notation for 1-(2-bromophenyl)-N-ethyl-4,4-dimethylpentan-3-amine?
The canonical SMILES for 1-(2-bromophenyl)-N-ethyl-4,4-dimethylpentan-3-amine is CCNC(CCc1ccccc1Br)C(C)(C)C.
What is the InChIKey of 1-(2-bromophenyl)-N-ethyl-4,4-dimethylpentan-3-amine?
The InChIKey is RPBOUCCHNMODCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-5-17-14(15(2,3)4)11-10-12-8-6-7-9-13(12)16/h6-9,14,17H,5,10-11H2,1-4H3.
What are the key properties of 1-(2-bromophenyl)-N-ethyl-4,4-dimethylpentan-3-amine?
1-(2-bromophenyl)-N-ethyl-4,4-dimethylpentan-3-amine has a molecular weight of 298.27 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-ethyl-4,4-dimethylpentan-3-amine is sourced from PubChem (CID 54891491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).