2-(bromomethyl)-N-methyl-N-(2-phenylethyl)-2-propylpentan-1-amine

C18H30BrN — CID 65487454

IUPAC2-(bromomethyl)-N-methyl-N-(2-phenylethyl)-2-propylpentan-1-amine
SMILESCCCC(CBr)(CCC)CN(C)CCc1ccccc1
InChIInChI=1S/C18H30BrN/c1-4-12-18(15-19,13-5-2)16-20(3)14-11-17-9-7-6-8-10-17/h6-10H,4-5,11-16H2,1-3H3
InChIKeyMGUYCPMVIVRTJR-UHFFFAOYSA-N
MW340.35 g/mol
LogP5.14
Rot. Bonds10

About 2-(bromomethyl)-N-methyl-N-(2-phenylethyl)-2-propylpentan-1-amine

2-(bromomethyl)-N-methyl-N-(2-phenylethyl)-2-propylpentan-1-amine (PubChem CID 65487454) has the molecular formula C18H30BrN and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-(bromomethyl)-N-methyl-N-(2-phenylethyl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-N-methyl-N-(2-phenylethyl)-2-propylpentan-1-amine
PubChem CID65487454
Molecular FormulaC18H30BrN
Molecular Weight340.35 g/mol
Exact Mass339.16
IUPAC Name2-(bromomethyl)-N-methyl-N-(2-phenylethyl)-2-propylpentan-1-amine
SMILESCCCC(CBr)(CCC)CN(C)CCc1ccccc1
InChIInChI=1S/C18H30BrN/c1-4-12-18(15-19,13-5-2)16-20(3)14-11-17-9-7-6-8-10-17/h6-10H,4-5,11-16H2,1-3H3
InChIKeyMGUYCPMVIVRTJR-UHFFFAOYSA-N
XLogP5.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.35
LogP ≤ 55.14
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

2-(bromomethyl)-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pentan-1-amine
CID 65005071
2-(bromomethyl)-N-methyl-N,2-dipropylpentan-1-amine
CID 65005368
2-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-2-propylpentan-1-amine
CID 65005275
N,2-dimethyl-N-(2-phenylethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 65487674
N',2,2-trimethyl-N'-(2-phenylethyl)propane-1,3-diamine;hydrochloride
CID 119928998
[4-(bromomethyl)-4-ethyloctyl]benzene
CID 66047831
2,2-dimethyl-N-(2-phenylethyl)-N-propylpropan-1-amine
CID 67814456
2-methyl-4-[methyl(2-phenylethyl)amino]butan-2-ol
CID 79359532
2-methyl-3-[methyl(2-phenylethyl)amino]-2-phenylpropan-1-ol
CID 65485963
1-N,3-N,2,2-tetramethyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 66454544
1-[methyl(2-phenylethyl)amino]pentan-2-one
CID 65486864
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]-2-(propylamino)propanoate
CID 65486901

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N-methyl-N-(2-phenylethyl)-2-propylpentan-1-amine?
The IUPAC name of 2-(bromomethyl)-N-methyl-N-(2-phenylethyl)-2-propylpentan-1-amine (CID 65487454) is 2-(bromomethyl)-N-methyl-N-(2-phenylethyl)-2-propylpentan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-N-methyl-N-(2-phenylethyl)-2-propylpentan-1-amine?
The canonical SMILES for 2-(bromomethyl)-N-methyl-N-(2-phenylethyl)-2-propylpentan-1-amine is CCCC(CBr)(CCC)CN(C)CCc1ccccc1.
What is the InChIKey of 2-(bromomethyl)-N-methyl-N-(2-phenylethyl)-2-propylpentan-1-amine?
The InChIKey is MGUYCPMVIVRTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrN/c1-4-12-18(15-19,13-5-2)16-20(3)14-11-17-9-7-6-8-10-17/h6-10H,4-5,11-16H2,1-3H3.
What are the key properties of 2-(bromomethyl)-N-methyl-N-(2-phenylethyl)-2-propylpentan-1-amine?
2-(bromomethyl)-N-methyl-N-(2-phenylethyl)-2-propylpentan-1-amine has a molecular weight of 340.35 g/mol, XLogP of 5.14, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N-methyl-N-(2-phenylethyl)-2-propylpentan-1-amine is sourced from PubChem (CID 65487454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).