N-[[2-(2-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-1-amine

C17H24ClN — CID 65009448

IUPACN-[[2-(2-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccccc2Cl)CC2(CCC2)C1
InChIInChI=1S/C17H24ClN/c1-2-10-19-13-17(11-16(12-17)8-5-9-16)14-6-3-4-7-15(14)18/h3-4,6-7,19H,2,5,8-13H2,1H3
InChIKeyURQFLKBHDGRMFU-UHFFFAOYSA-N
MW277.84 g/mol
LogP4.54
Rot. Bonds5

About N-[[2-(2-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-1-amine

N-[[2-(2-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-1-amine (PubChem CID 65009448) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-1-amine
PubChem CID65009448
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC NameN-[[2-(2-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccccc2Cl)CC2(CCC2)C1
InChIInChI=1S/C17H24ClN/c1-2-10-19-13-17(11-16(12-17)8-5-9-16)14-6-3-4-7-15(14)18/h3-4,6-7,19H,2,5,8-13H2,1H3
InChIKeyURQFLKBHDGRMFU-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 54.54
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-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine
CID 65008338
N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008495
1-[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine
CID 65008337
N-[[2-(2-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine
CID 65003123
N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008193
N-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine
CID 65013812
N-[[5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008448
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-[[1-(2-methylphenyl)cyclopropyl]methyl]propan-1-amine
CID 62594744
N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 55091372
N-[[1-(2,4-dichlorophenyl)cycloheptyl]methyl]propan-1-amine
CID 63517640

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-1-amine (CID 65009448) is N-[[2-(2-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-1-amine is CCCNCC1(c2ccccc2Cl)CC2(CCC2)C1.
What is the InChIKey of N-[[2-(2-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-1-amine?
The InChIKey is URQFLKBHDGRMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN/c1-2-10-19-13-17(11-16(12-17)8-5-9-16)14-6-3-4-7-15(14)18/h3-4,6-7,19H,2,5,8-13H2,1H3.
What are the key properties of N-[[2-(2-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-1-amine?
N-[[2-(2-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-1-amine has a molecular weight of 277.84 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 65009448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).