N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine

C16H22BrN — CID 65008193

IUPACN-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccccc2Br)CC2(CC2)C1
InChIInChI=1S/C16H22BrN/c1-2-9-18-12-16(10-15(11-16)7-8-15)13-5-3-4-6-14(13)17/h3-6,18H,2,7-12H2,1H3
InChIKeyFXRSJWJEQCFCMG-UHFFFAOYSA-N
MW308.26 g/mol
LogP4.26
Rot. Bonds5

About N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine

N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine (PubChem CID 65008193) has the molecular formula C16H22BrN and a molecular weight of 308.26 g/mol. Its IUPAC name is N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
PubChem CID65008193
Molecular FormulaC16H22BrN
Molecular Weight308.26 g/mol
Exact Mass307.09
IUPAC NameN-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccccc2Br)CC2(CC2)C1
InChIInChI=1S/C16H22BrN/c1-2-9-18-12-16(10-15(11-16)7-8-15)13-5-3-4-6-14(13)17/h3-6,18H,2,7-12H2,1H3
InChIKeyFXRSJWJEQCFCMG-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine
CID 65008248
1-[2-(2-bromophenyl)spiro[3.3]heptan-2-yl]-N-methylmethanamine
CID 65009563
N-[[5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008448
N-[[2-(2-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-1-amine
CID 65009448
N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008495
N-[[1-(2-methylphenyl)cyclopropyl]methyl]propan-1-amine
CID 62594744
N-[[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine
CID 65008338
N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008765
N-[[5-(2-chloro-6-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008933
N-[(2-thiophen-2-ylspiro[3.3]heptan-2-yl)methyl]propan-1-amine
CID 65009716
N-[[5-[3-(trifluoromethyl)phenyl]spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008716
N-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine
CID 65013812

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine (CID 65008193) is N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine is CCCNCC1(c2ccccc2Br)CC2(CC2)C1.
What is the InChIKey of N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine?
The InChIKey is FXRSJWJEQCFCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN/c1-2-9-18-12-16(10-15(11-16)7-8-15)13-5-3-4-6-14(13)17/h3-6,18H,2,7-12H2,1H3.
What are the key properties of N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine?
N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine has a molecular weight of 308.26 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 65008193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).