N-benzyl-2-(bromomethyl)-N-propylbutan-1-amine

C15H24BrN — CID 130848534

IUPACN-benzyl-2-(bromomethyl)-N-propylbutan-1-amine
SMILESCCCN(Cc1ccccc1)CC(CC)CBr
InChIInChI=1S/C15H24BrN/c1-3-10-17(12-14(4-2)11-16)13-15-8-6-5-7-9-15/h5-9,14H,3-4,10-13H2,1-2H3
InChIKeyTWMFCAJOIMCVHD-UHFFFAOYSA-N
MW298.27 g/mol
LogP4.32
Rot. Bonds8

About N-benzyl-2-(bromomethyl)-N-propylbutan-1-amine

N-benzyl-2-(bromomethyl)-N-propylbutan-1-amine (PubChem CID 130848534) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is N-benzyl-2-(bromomethyl)-N-propylbutan-1-amine.

Molecular Properties

Compound NameN-benzyl-2-(bromomethyl)-N-propylbutan-1-amine
PubChem CID130848534
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC NameN-benzyl-2-(bromomethyl)-N-propylbutan-1-amine
SMILESCCCN(Cc1ccccc1)CC(CC)CBr
InChIInChI=1S/C15H24BrN/c1-3-10-17(12-14(4-2)11-16)13-15-8-6-5-7-9-15/h5-9,14H,3-4,10-13H2,1-2H3
InChIKeyTWMFCAJOIMCVHD-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.32
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,N-dibenzylpropan-1-amine
CID 10840212
N'-benzyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366167
N'-benzyl-N'-(2-ethylhexyl)ethane-1,2-diamine
CID 63486504
2-[benzyl(2-ethylhexyl)amino]ethanol
CID 55192095
(2S)-2-[(dibenzylamino)methyl]butan-1-ol
CID 102574363
1-N-benzyl-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 131052434
N-benzyl-N-propylhexan-1-amine
CID 123983090
N-benzyl-N-(methoxymethyl)propan-1-amine
CID 90983787
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
4-[benzyl(propyl)amino]butan-1-ol
CID 130822527
ethane;2-ethyl-N,N-dipropylbutan-1-amine
CID 145001247
(1R)-2-[benzyl(propyl)amino]-1-(3-bromophenyl)ethanol
CID 52535526

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(bromomethyl)-N-propylbutan-1-amine?
The IUPAC name of N-benzyl-2-(bromomethyl)-N-propylbutan-1-amine (CID 130848534) is N-benzyl-2-(bromomethyl)-N-propylbutan-1-amine.
What is the SMILES notation for N-benzyl-2-(bromomethyl)-N-propylbutan-1-amine?
The canonical SMILES for N-benzyl-2-(bromomethyl)-N-propylbutan-1-amine is CCCN(Cc1ccccc1)CC(CC)CBr.
What is the InChIKey of N-benzyl-2-(bromomethyl)-N-propylbutan-1-amine?
The InChIKey is TWMFCAJOIMCVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN/c1-3-10-17(12-14(4-2)11-16)13-15-8-6-5-7-9-15/h5-9,14H,3-4,10-13H2,1-2H3.
What are the key properties of N-benzyl-2-(bromomethyl)-N-propylbutan-1-amine?
N-benzyl-2-(bromomethyl)-N-propylbutan-1-amine has a molecular weight of 298.27 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(bromomethyl)-N-propylbutan-1-amine is sourced from PubChem (CID 130848534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).