1-[1-(3-bromophenyl)cycloheptyl]-N-methylmethanamine

C15H22BrN — CID 63512242

IUPAC1-[1-(3-bromophenyl)cycloheptyl]-N-methylmethanamine
SMILESCNCC1(c2cccc(Br)c2)CCCCCC1
InChIInChI=1S/C15H22BrN/c1-17-12-15(9-4-2-3-5-10-15)13-7-6-8-14(16)11-13/h6-8,11,17H,2-5,9-10,12H2,1H3
InChIKeyHAYJARTTXBSCKS-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.26
Rot. Bonds3

About 1-[1-(3-bromophenyl)cycloheptyl]-N-methylmethanamine

1-[1-(3-bromophenyl)cycloheptyl]-N-methylmethanamine (PubChem CID 63512242) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 1-[1-(3-bromophenyl)cycloheptyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-bromophenyl)cycloheptyl]-N-methylmethanamine
PubChem CID63512242
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name1-[1-(3-bromophenyl)cycloheptyl]-N-methylmethanamine
SMILESCNCC1(c2cccc(Br)c2)CCCCCC1
InChIInChI=1S/C15H22BrN/c1-17-12-15(9-4-2-3-5-10-15)13-7-6-8-14(16)11-13/h6-8,11,17H,2-5,9-10,12H2,1H3
InChIKeyHAYJARTTXBSCKS-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(3-bromophenyl)cyclopentyl]methyl]cyclopropanamine
CID 62595905
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119744821
O-[[1-(3-bromophenyl)cyclopentyl]methyl]hydroxylamine
CID 83693924
2-[1-(3-bromophenyl)cyclopentyl]acetic acid
CID 68971554
1-bromo-3-[1-(ethylsulfanylmethyl)cyclobutyl]benzene
CID 115052251
1-[[1-(3-bromophenyl)cyclohexyl]methyl]-2-methyl-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111522115
1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 58954797
N-methyl-1-(1-naphthalen-2-ylcyclobutyl)methanamine
CID 116963684
1-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942914
1-bromo-3-[1-(methylsulfanylmethyl)cyclopropyl]benzene
CID 115047980
1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea
CID 56805862
[2-(3-bromophenyl)spiro[3.4]octan-2-yl]methanamine
CID 65003118

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromophenyl)cycloheptyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-bromophenyl)cycloheptyl]-N-methylmethanamine (CID 63512242) is 1-[1-(3-bromophenyl)cycloheptyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-bromophenyl)cycloheptyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-bromophenyl)cycloheptyl]-N-methylmethanamine is CNCC1(c2cccc(Br)c2)CCCCCC1.
What is the InChIKey of 1-[1-(3-bromophenyl)cycloheptyl]-N-methylmethanamine?
The InChIKey is HAYJARTTXBSCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-17-12-15(9-4-2-3-5-10-15)13-7-6-8-14(16)11-13/h6-8,11,17H,2-5,9-10,12H2,1H3.
What are the key properties of 1-[1-(3-bromophenyl)cycloheptyl]-N-methylmethanamine?
1-[1-(3-bromophenyl)cycloheptyl]-N-methylmethanamine has a molecular weight of 296.25 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromophenyl)cycloheptyl]-N-methylmethanamine is sourced from PubChem (CID 63512242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).