1-[1-[(4-bromophenyl)methoxy]cycloheptyl]-N-methylmethanamine

C16H24BrNO — CID 82831281

IUPAC1-[1-[(4-bromophenyl)methoxy]cycloheptyl]-N-methylmethanamine
SMILESCNCC1(OCc2ccc(Br)cc2)CCCCCC1
InChIInChI=1S/C16H24BrNO/c1-18-13-16(10-4-2-3-5-11-16)19-12-14-6-8-15(17)9-7-14/h6-9,18H,2-5,10-13H2,1H3
InChIKeyNGEKBSODXFMLAB-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.28
Rot. Bonds5

About 1-[1-[(4-bromophenyl)methoxy]cycloheptyl]-N-methylmethanamine

1-[1-[(4-bromophenyl)methoxy]cycloheptyl]-N-methylmethanamine (PubChem CID 82831281) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[1-[(4-bromophenyl)methoxy]cycloheptyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4-bromophenyl)methoxy]cycloheptyl]-N-methylmethanamine
PubChem CID82831281
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-[1-[(4-bromophenyl)methoxy]cycloheptyl]-N-methylmethanamine
SMILESCNCC1(OCc2ccc(Br)cc2)CCCCCC1
InChIInChI=1S/C16H24BrNO/c1-18-13-16(10-4-2-3-5-11-16)19-12-14-6-8-15(17)9-7-14/h6-9,18H,2-5,10-13H2,1H3
InChIKeyNGEKBSODXFMLAB-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]ethanamine
CID 82831812
N-[[1-[(4-bromophenyl)methoxy]cycloheptyl]methyl]propan-1-amine
CID 82805528
N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 82832195
[1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine
CID 82832273
methyl 2-[1-[(4-bromophenyl)methoxy]cyclobutyl]acetate
CID 103272838
2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethanamine
CID 103274368
N-[2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103274369
1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62724385
N-[[1-[(4-bromophenyl)methoxy]-3-methylcyclohexyl]methyl]ethanamine
CID 82831969
1-[1-[(4-chlorophenyl)methoxy]-4-propylcyclohexyl]-N-methylmethanamine
CID 65124555
1-[1-[(2-fluorophenyl)methoxy]cyclopentyl]-N-methylmethanamine
CID 63934468
N-[[1-[(3-bromophenyl)methoxy]cyclopentyl]methyl]propan-1-amine
CID 82831973

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-bromophenyl)methoxy]cycloheptyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(4-bromophenyl)methoxy]cycloheptyl]-N-methylmethanamine (CID 82831281) is 1-[1-[(4-bromophenyl)methoxy]cycloheptyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4-bromophenyl)methoxy]cycloheptyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4-bromophenyl)methoxy]cycloheptyl]-N-methylmethanamine is CNCC1(OCc2ccc(Br)cc2)CCCCCC1.
What is the InChIKey of 1-[1-[(4-bromophenyl)methoxy]cycloheptyl]-N-methylmethanamine?
The InChIKey is NGEKBSODXFMLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-18-13-16(10-4-2-3-5-11-16)19-12-14-6-8-15(17)9-7-14/h6-9,18H,2-5,10-13H2,1H3.
What are the key properties of 1-[1-[(4-bromophenyl)methoxy]cycloheptyl]-N-methylmethanamine?
1-[1-[(4-bromophenyl)methoxy]cycloheptyl]-N-methylmethanamine has a molecular weight of 326.28 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-bromophenyl)methoxy]cycloheptyl]-N-methylmethanamine is sourced from PubChem (CID 82831281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).