1-(2-bromo-5-cycloheptyloxyphenyl)propan-2-amine

C16H24BrNO — CID 82930684

IUPAC1-(2-bromo-5-cycloheptyloxyphenyl)propan-2-amine
SMILESCC(N)Cc1cc(OC2CCCCCC2)ccc1Br
InChIInChI=1S/C16H24BrNO/c1-12(18)10-13-11-15(8-9-16(13)17)19-14-6-4-2-3-5-7-14/h8-9,11-12,14H,2-7,10,18H2,1H3
InChIKeyXYGWSJUNCWPAAQ-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.44
Rot. Bonds4

About 1-(2-bromo-5-cycloheptyloxyphenyl)propan-2-amine

1-(2-bromo-5-cycloheptyloxyphenyl)propan-2-amine (PubChem CID 82930684) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(2-bromo-5-cycloheptyloxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-cycloheptyloxyphenyl)propan-2-amine
PubChem CID82930684
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-(2-bromo-5-cycloheptyloxyphenyl)propan-2-amine
SMILESCC(N)Cc1cc(OC2CCCCCC2)ccc1Br
InChIInChI=1S/C16H24BrNO/c1-12(18)10-13-11-15(8-9-16(13)17)19-14-6-4-2-3-5-7-14/h8-9,11-12,14H,2-7,10,18H2,1H3
InChIKeyXYGWSJUNCWPAAQ-UHFFFAOYSA-N
XLogP4.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-cyclopentyloxyphenyl)propan-2-amine
CID 61391929
1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride
CID 54592852
N-[(2-bromo-5-cycloheptyloxyphenyl)methyl]propan-1-amine
CID 82925799
1-(5-cyclohexyloxy-2-pyridinyl)propan-2-amine
CID 79799617
1-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine
CID 117486565
1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-amine
CID 115862327
1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine
CID 82922401
1-bromo-2-chloro-4-cyclohexyloxybenzene
CID 130631642
N-[(2-bromo-5-cycloheptyloxyphenyl)methyl]-2-methoxyethanamine
CID 82926404
1-(6-cyclopentyloxy-1,3-benzodioxol-5-yl)propan-2-amine
CID 55012870
1-(2,5-dibromophenyl)propan-2-amine
CID 84739331
1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155890234

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-cycloheptyloxyphenyl)propan-2-amine?
The IUPAC name of 1-(2-bromo-5-cycloheptyloxyphenyl)propan-2-amine (CID 82930684) is 1-(2-bromo-5-cycloheptyloxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-cycloheptyloxyphenyl)propan-2-amine?
The canonical SMILES for 1-(2-bromo-5-cycloheptyloxyphenyl)propan-2-amine is CC(N)Cc1cc(OC2CCCCCC2)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-cycloheptyloxyphenyl)propan-2-amine?
The InChIKey is XYGWSJUNCWPAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-12(18)10-13-11-15(8-9-16(13)17)19-14-6-4-2-3-5-7-14/h8-9,11-12,14H,2-7,10,18H2,1H3.
What are the key properties of 1-(2-bromo-5-cycloheptyloxyphenyl)propan-2-amine?
1-(2-bromo-5-cycloheptyloxyphenyl)propan-2-amine has a molecular weight of 326.28 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-cycloheptyloxyphenyl)propan-2-amine is sourced from PubChem (CID 82930684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).