1-[[(4-bromo-3-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine

C16H25BrN2 — CID 79175035

IUPAC1-[[(4-bromo-3-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCc1cc(CNCC2(N(C)C)CCCC2)ccc1Br
InChIInChI=1S/C16H25BrN2/c1-13-10-14(6-7-15(13)17)11-18-12-16(19(2)3)8-4-5-9-16/h6-7,10,18H,4-5,8-9,11-12H2,1-3H3
InChIKeyYGZRZYQAFCESJQ-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.72
Rot. Bonds5

About 1-[[(4-bromo-3-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine

1-[[(4-bromo-3-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 79175035) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-[[(4-bromo-3-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[[(4-bromo-3-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID79175035
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-[[(4-bromo-3-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCc1cc(CNCC2(N(C)C)CCCC2)ccc1Br
InChIInChI=1S/C16H25BrN2/c1-13-10-14(6-7-15(13)17)11-18-12-16(19(2)3)8-4-5-9-16/h6-7,10,18H,4-5,8-9,11-12H2,1-3H3
InChIKeyYGZRZYQAFCESJQ-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(4-bromo-3-fluorophenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 81002628
1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 103581874
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79036169
1-[[(3,4-dimethoxyphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912471
4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline
CID 78912341
N,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine
CID 115281280
4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol
CID 28621925
N-[(4-bromo-3-methylphenyl)methyl]-1-methylcyclohexan-1-amine
CID 66473220
3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]phenol
CID 28622087
1-[[(3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 28530508
1-[[(4-bromo-5-methylthiophen-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 102837189
1-[[(4-bromo-3-fluorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 81431518

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-bromo-3-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[[(4-bromo-3-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine (CID 79175035) is 1-[[(4-bromo-3-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[[(4-bromo-3-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[[(4-bromo-3-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine is Cc1cc(CNCC2(N(C)C)CCCC2)ccc1Br.
What is the InChIKey of 1-[[(4-bromo-3-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is YGZRZYQAFCESJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-13-10-14(6-7-15(13)17)11-18-12-16(19(2)3)8-4-5-9-16/h6-7,10,18H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of 1-[[(4-bromo-3-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
1-[[(4-bromo-3-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 325.29 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-bromo-3-methylphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79175035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).