N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-2-amine

C18H28BrN — CID 81025704

IUPACN-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCCC1Cc1ccc(Br)cc1
InChIInChI=1S/C18H28BrN/c1-14(2)20-13-17-7-5-3-4-6-16(17)12-15-8-10-18(19)11-9-15/h8-11,14,16-17,20H,3-7,12-13H2,1-2H3
InChIKeyRXZYMDMOABJJOM-UHFFFAOYSA-N
MW338.33 g/mol
LogP5.19
Rot. Bonds5

About N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-2-amine

N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-2-amine (PubChem CID 81025704) has the molecular formula C18H28BrN and a molecular weight of 338.33 g/mol. Its IUPAC name is N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-2-amine
PubChem CID81025704
Molecular FormulaC18H28BrN
Molecular Weight338.33 g/mol
Exact Mass337.14
IUPAC NameN-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCCC1Cc1ccc(Br)cc1
InChIInChI=1S/C18H28BrN/c1-14(2)20-13-17-7-5-3-4-6-16(17)12-15-8-10-18(19)11-9-15/h8-11,14,16-17,20H,3-7,12-13H2,1-2H3
InChIKeyRXZYMDMOABJJOM-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[2-[(4-fluorophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81026709
N-[(2-benzylcycloheptyl)methyl]propan-2-amine
CID 81026493
N-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81033706
N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81025478
N-[[2-[(4-bromo-2-fluorophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81034903
N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 104813876
N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81033564
N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 81028379
1-[2-[(4-bromophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016958
N-[[2-[(2-bromophenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81024241
N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 81024765
[2-[(4-bromophenyl)methyl]cyclohexyl]methanamine
CID 81011021

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-2-amine (CID 81025704) is N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-2-amine is CC(C)NCC1CCCCCC1Cc1ccc(Br)cc1.
What is the InChIKey of N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-2-amine?
The InChIKey is RXZYMDMOABJJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN/c1-14(2)20-13-17-7-5-3-4-6-16(17)12-15-8-10-18(19)11-9-15/h8-11,14,16-17,20H,3-7,12-13H2,1-2H3.
What are the key properties of N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-2-amine?
N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-2-amine has a molecular weight of 338.33 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-2-amine is sourced from PubChem (CID 81025704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).