N-(2-bromoethyl)-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine

C15H24BrN — CID 80671287

IUPACN-(2-bromoethyl)-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
SMILESCC(C)c1ccc(CN(CCBr)C(C)C)cc1
InChIInChI=1S/C15H24BrN/c1-12(2)15-7-5-14(6-8-15)11-17(10-9-16)13(3)4/h5-8,12-13H,9-11H2,1-4H3
InChIKeyGNAMNCDLJXDEMG-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.42
Rot. Bonds6

About N-(2-bromoethyl)-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine

N-(2-bromoethyl)-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine (PubChem CID 80671287) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
PubChem CID80671287
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC NameN-(2-bromoethyl)-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
SMILESCC(C)c1ccc(CN(CCBr)C(C)C)cc1
InChIInChI=1S/C15H24BrN/c1-12(2)15-7-5-14(6-8-15)11-17(10-9-16)13(3)4/h5-8,12-13H,9-11H2,1-4H3
InChIKeyGNAMNCDLJXDEMG-UHFFFAOYSA-N
XLogP4.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(2-bromoethyl)propan-2-amine
CID 61289329
N-(2-bromoethyl)-N-[(3,4-dichlorophenyl)methyl]propan-2-amine
CID 80670954
N-benzyl-2-bromo-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 80680300
2-[propan-2-yl-[(4-propan-2-ylphenyl)methyl]amino]acetic acid
CID 39352014
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
4-[[(4-aminophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 59540436
N-[(4-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 156849386
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine
CID 2056892
N-(2-bromoethyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
CID 107310022
[4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 60921319
ethane;4-[[3-methylbutyl(propan-2-yl)amino]methyl]phenol
CID 156850117
N'-ethyl-N,N-dimethyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine
CID 782609

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine (CID 80671287) is N-(2-bromoethyl)-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine is CC(C)c1ccc(CN(CCBr)C(C)C)cc1.
What is the InChIKey of N-(2-bromoethyl)-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine?
The InChIKey is GNAMNCDLJXDEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-12(2)15-7-5-14(6-8-15)11-17(10-9-16)13(3)4/h5-8,12-13H,9-11H2,1-4H3.
What are the key properties of N-(2-bromoethyl)-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine?
N-(2-bromoethyl)-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine has a molecular weight of 298.27 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 80671287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).