N-(4-bromo-3-methoxyphenyl)cycloheptanamine

C14H20BrNO — CID 82858294

IUPACN-(4-bromo-3-methoxyphenyl)cycloheptanamine
SMILESCOc1cc(NC2CCCCCC2)ccc1Br
InChIInChI=1S/C14H20BrNO/c1-17-14-10-12(8-9-13(14)15)16-11-6-4-2-3-5-7-11/h8-11,16H,2-7H2,1H3
InChIKeyAINBPNRFYNRNPV-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.59
Rot. Bonds3

About N-(4-bromo-3-methoxyphenyl)cycloheptanamine

N-(4-bromo-3-methoxyphenyl)cycloheptanamine (PubChem CID 82858294) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-(4-bromo-3-methoxyphenyl)cycloheptanamine.

Molecular Properties

Compound NameN-(4-bromo-3-methoxyphenyl)cycloheptanamine
PubChem CID82858294
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-(4-bromo-3-methoxyphenyl)cycloheptanamine
SMILESCOc1cc(NC2CCCCCC2)ccc1Br
InChIInChI=1S/C14H20BrNO/c1-17-14-10-12(8-9-13(14)15)16-11-6-4-2-3-5-7-11/h8-11,16H,2-7H2,1H3
InChIKeyAINBPNRFYNRNPV-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-methoxy-N-(4-methoxycyclohexyl)aniline
CID 113414428
3-bromo-N-cyclopentyl-4-methoxyaniline
CID 63999867
N-(4-bromo-3-methoxyphenyl)thian-4-amine
CID 79479282
4-bromo-3-methoxy-N-(4-propan-2-ylcyclohexyl)aniline
CID 82858349
4-N-cyclooctyl-2-methoxybenzene-1,4-diamine
CID 63672291
2-(4-bromo-3-methoxyanilino)cyclohexan-1-ol
CID 82868019
(3S)-N-(4-bromo-3-methoxyphenyl)thiolan-3-amine
CID 97358692
N-(4-bromo-3-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 82857353
N-(4-bromo-3-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 82857646
N-(3-fluoro-4-methoxyphenyl)cycloheptanamine
CID 43380636
4-bromo-N-(2,2-dimethylcyclohexyl)-3-methoxyaniline
CID 82858064
4-bromo-N-cyclohexyl-3-phenylmethoxyaniline
CID 172650668

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methoxyphenyl)cycloheptanamine?
The IUPAC name of N-(4-bromo-3-methoxyphenyl)cycloheptanamine (CID 82858294) is N-(4-bromo-3-methoxyphenyl)cycloheptanamine.
What is the SMILES notation for N-(4-bromo-3-methoxyphenyl)cycloheptanamine?
The canonical SMILES for N-(4-bromo-3-methoxyphenyl)cycloheptanamine is COc1cc(NC2CCCCCC2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methoxyphenyl)cycloheptanamine?
The InChIKey is AINBPNRFYNRNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-17-14-10-12(8-9-13(14)15)16-11-6-4-2-3-5-7-11/h8-11,16H,2-7H2,1H3.
What are the key properties of N-(4-bromo-3-methoxyphenyl)cycloheptanamine?
N-(4-bromo-3-methoxyphenyl)cycloheptanamine has a molecular weight of 298.22 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methoxyphenyl)cycloheptanamine is sourced from PubChem (CID 82858294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).