2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-bromophenyl)-N-methylpropan-1-amine

C18H26BrN — CID 79561700

IUPAC2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-bromophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Br)cc1)CC1CC2CCC1C2
InChIInChI=1S/C18H26BrN/c1-20-12-15(8-13-3-6-18(19)7-4-13)11-17-10-14-2-5-16(17)9-14/h3-4,6-7,14-17,20H,2,5,8-12H2,1H3
InChIKeySLEDYDYPZIUUIX-UHFFFAOYSA-N
MW336.32 g/mol
LogP4.65
Rot. Bonds6

About 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-bromophenyl)-N-methylpropan-1-amine

2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-bromophenyl)-N-methylpropan-1-amine (PubChem CID 79561700) has the molecular formula C18H26BrN and a molecular weight of 336.32 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-bromophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-bromophenyl)-N-methylpropan-1-amine
PubChem CID79561700
Molecular FormulaC18H26BrN
Molecular Weight336.32 g/mol
Exact Mass335.12
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-bromophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Br)cc1)CC1CC2CCC1C2
InChIInChI=1S/C18H26BrN/c1-20-12-15(8-13-3-6-18(19)7-4-13)11-17-10-14-2-5-16(17)9-14/h3-4,6-7,14-17,20H,2,5,8-12H2,1H3
InChIKeySLEDYDYPZIUUIX-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(3-bromophenyl)-N-ethylpropan-1-amine
CID 79561949
2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)propan-1-ol
CID 79550468
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine
CID 115864331
2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine
CID 62514878
2-[(4-bromophenyl)methyl]-3-(3,4-dimethylphenyl)-N-methylpropan-1-amine
CID 63521178
2-[(4-bromophenyl)methyl]-N-methylundecan-1-amine
CID 63521360
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-bromo-4-methoxyphenyl)propan-2-ol
CID 115779476
4-[(2R)-2-[4-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]piperazin-1-yl]-3-(methylamino)propyl]phenol
CID 45482203
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine
CID 105012696
1-(2-bicyclo[2.2.1]heptanyl)-3-(5-bromo-2-fluorophenyl)propan-2-amine
CID 115839806
1-(2-bicyclo[2.2.1]heptanyl)-3-(3,4-dichlorophenyl)propan-2-amine
CID 63527803
[1-(2-bicyclo[2.2.1]heptanyl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105212561

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-bromophenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-bromophenyl)-N-methylpropan-1-amine (CID 79561700) is 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-bromophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-bromophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-bromophenyl)-N-methylpropan-1-amine is CNCC(Cc1ccc(Br)cc1)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-bromophenyl)-N-methylpropan-1-amine?
The InChIKey is SLEDYDYPZIUUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrN/c1-20-12-15(8-13-3-6-18(19)7-4-13)11-17-10-14-2-5-16(17)9-14/h3-4,6-7,14-17,20H,2,5,8-12H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-bromophenyl)-N-methylpropan-1-amine?
2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-bromophenyl)-N-methylpropan-1-amine has a molecular weight of 336.32 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-bromophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 79561700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).