[2-(3-bromophenyl)spiro[3.4]octan-2-yl]methanamine

C15H20BrN — CID 65003118

IUPAC[2-(3-bromophenyl)spiro[3.4]octan-2-yl]methanamine
SMILESNCC1(c2cccc(Br)c2)CC2(CCCC2)C1
InChIInChI=1S/C15H20BrN/c16-13-5-3-4-12(8-13)15(11-17)9-14(10-15)6-1-2-7-14/h3-5,8H,1-2,6-7,9-11,17H2
InChIKeyOHUYNQGOXURMKN-UHFFFAOYSA-N
MW294.24 g/mol
LogP4.00
Rot. Bonds2

About [2-(3-bromophenyl)spiro[3.4]octan-2-yl]methanamine

[2-(3-bromophenyl)spiro[3.4]octan-2-yl]methanamine (PubChem CID 65003118) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is [2-(3-bromophenyl)spiro[3.4]octan-2-yl]methanamine.

Molecular Properties

Compound Name[2-(3-bromophenyl)spiro[3.4]octan-2-yl]methanamine
PubChem CID65003118
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC Name[2-(3-bromophenyl)spiro[3.4]octan-2-yl]methanamine
SMILESNCC1(c2cccc(Br)c2)CC2(CCCC2)C1
InChIInChI=1S/C15H20BrN/c16-13-5-3-4-12(8-13)15(11-17)9-14(10-15)6-1-2-7-14/h3-5,8H,1-2,6-7,9-11,17H2
InChIKeyOHUYNQGOXURMKN-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(3-chlorophenyl)spiro[3.6]decan-2-yl]methanamine
CID 65007393
3-(aminomethyl)-3-(3-bromophenyl)-1-methylcyclopentan-1-ol
CID 115052156
N-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009612
3-(aminomethyl)-3-(3-bromophenyl)cyclobutan-1-one
CID 64906897
O-[[1-(3-bromophenyl)cyclopentyl]methyl]hydroxylamine
CID 83693924
[5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008436
[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methanamine
CID 65002969
[1-(3-bromophenyl)-3-tert-butylcyclobutyl]methanamine
CID 65017119
2-[1-(3-bromophenyl)cyclopentyl]acetic acid
CID 68971554
1-[1-(3-bromophenyl)cycloheptyl]-N-methylmethanamine
CID 63512242
[2-(3-bromophenyl)azetidin-2-yl]methanamine
CID 115059263
2-[[1-(3-bromophenyl)cyclobutyl]methyl]guanidine
CID 110918036

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)spiro[3.4]octan-2-yl]methanamine?
The IUPAC name of [2-(3-bromophenyl)spiro[3.4]octan-2-yl]methanamine (CID 65003118) is [2-(3-bromophenyl)spiro[3.4]octan-2-yl]methanamine.
What is the SMILES notation for [2-(3-bromophenyl)spiro[3.4]octan-2-yl]methanamine?
The canonical SMILES for [2-(3-bromophenyl)spiro[3.4]octan-2-yl]methanamine is NCC1(c2cccc(Br)c2)CC2(CCCC2)C1.
What is the InChIKey of [2-(3-bromophenyl)spiro[3.4]octan-2-yl]methanamine?
The InChIKey is OHUYNQGOXURMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN/c16-13-5-3-4-12(8-13)15(11-17)9-14(10-15)6-1-2-7-14/h3-5,8H,1-2,6-7,9-11,17H2.
What are the key properties of [2-(3-bromophenyl)spiro[3.4]octan-2-yl]methanamine?
[2-(3-bromophenyl)spiro[3.4]octan-2-yl]methanamine has a molecular weight of 294.24 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)spiro[3.4]octan-2-yl]methanamine is sourced from PubChem (CID 65003118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).