N-(5-bromo-2-methoxyphenyl)-4-ethylcycloheptan-1-amine

C16H24BrNO — CID 65083314

IUPACN-(5-bromo-2-methoxyphenyl)-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(Nc2cc(Br)ccc2OC)CC1
InChIInChI=1S/C16H24BrNO/c1-3-12-5-4-6-14(9-7-12)18-15-11-13(17)8-10-16(15)19-2/h8,10-12,14,18H,3-7,9H2,1-2H3
InChIKeyPAAUUYHXMHARCN-UHFFFAOYSA-N
MW326.28 g/mol
LogP5.23
Rot. Bonds4

About N-(5-bromo-2-methoxyphenyl)-4-ethylcycloheptan-1-amine

N-(5-bromo-2-methoxyphenyl)-4-ethylcycloheptan-1-amine (PubChem CID 65083314) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-4-ethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-4-ethylcycloheptan-1-amine
PubChem CID65083314
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-(5-bromo-2-methoxyphenyl)-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(Nc2cc(Br)ccc2OC)CC1
InChIInChI=1S/C16H24BrNO/c1-3-12-5-4-6-14(9-7-12)18-15-11-13(17)8-10-16(15)19-2/h8,10-12,14,18H,3-7,9H2,1-2H3
InChIKeyPAAUUYHXMHARCN-UHFFFAOYSA-N
XLogP5.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.28
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol
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5-bromo-N-(3,4-dimethylcyclohexyl)-2-methoxyaniline
CID 64744839
N-(3-bromo-5-methoxyphenyl)-4-ethylcycloheptan-1-amine
CID 82857383
4-bromo-2-N-(3-ethylcyclohexyl)benzene-1,2-diamine
CID 65342365
4-chloro-N-(4-ethylcyclohexyl)-2-methoxy-5-methylaniline
CID 29287778
2,5-dibromo-N-(3-ethylcyclopentyl)aniline
CID 64501925
N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine
CID 65082609
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CID 79768490

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-4-ethylcycloheptan-1-amine?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-4-ethylcycloheptan-1-amine (CID 65083314) is N-(5-bromo-2-methoxyphenyl)-4-ethylcycloheptan-1-amine.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-4-ethylcycloheptan-1-amine?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-4-ethylcycloheptan-1-amine is CCC1CCCC(Nc2cc(Br)ccc2OC)CC1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-4-ethylcycloheptan-1-amine?
The InChIKey is PAAUUYHXMHARCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-3-12-5-4-6-14(9-7-12)18-15-11-13(17)8-10-16(15)19-2/h8,10-12,14,18H,3-7,9H2,1-2H3.
What are the key properties of N-(5-bromo-2-methoxyphenyl)-4-ethylcycloheptan-1-amine?
N-(5-bromo-2-methoxyphenyl)-4-ethylcycloheptan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-4-ethylcycloheptan-1-amine is sourced from PubChem (CID 65083314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).