N-[[2-(2,5-dichlorophenyl)cycloheptyl]methyl]propan-2-amine

C17H25Cl2N — CID 81025808

IUPACN-[[2-(2,5-dichlorophenyl)cycloheptyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCCC1c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H25Cl2N/c1-12(2)20-11-13-6-4-3-5-7-15(13)16-10-14(18)8-9-17(16)19/h8-10,12-13,15,20H,3-7,11H2,1-2H3
InChIKeyKEOPFQVYJRWGNR-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.66
Rot. Bonds4

About N-[[2-(2,5-dichlorophenyl)cycloheptyl]methyl]propan-2-amine

N-[[2-(2,5-dichlorophenyl)cycloheptyl]methyl]propan-2-amine (PubChem CID 81025808) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is N-[[2-(2,5-dichlorophenyl)cycloheptyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,5-dichlorophenyl)cycloheptyl]methyl]propan-2-amine
PubChem CID81025808
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC NameN-[[2-(2,5-dichlorophenyl)cycloheptyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCCC1c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H25Cl2N/c1-12(2)20-11-13-6-4-3-5-7-15(13)16-10-14(18)8-9-17(16)19/h8-10,12-13,15,20H,3-7,11H2,1-2H3
InChIKeyKEOPFQVYJRWGNR-UHFFFAOYSA-N
XLogP5.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.30
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-(2,5-dichlorophenyl)cycloheptyl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(2,5-dichlorophenyl)cyclohexyl]methyl]propan-2-amine
CID 81024095
N-[[2-(2,5-difluorophenyl)cycloheptyl]methyl]propan-2-amine
CID 81025099
N-[[2-(3,4-dichlorophenyl)cyclohexyl]methyl]propan-2-amine
CID 81024326
N-[[2-(2,4-dichlorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62708576
N-[[2-[(5-chloro-2-fluorophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 103051836
2-[2-(2,5-dichlorophenyl)cyclohexyl]acetic acid
CID 82250027
N-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclohexyl]methyl]propan-2-amine
CID 106763841
N-[[2-(2,4-dimethylphenyl)cyclopentyl]methyl]propan-2-amine
CID 81034661
N-[[2-(2,3-difluoro-4-methylphenyl)cyclohexyl]methyl]propan-2-amine
CID 107514752
N-[[2-(2-fluoro-5-methylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81018045
N-[[2-(3-bromo-2,6-difluorophenyl)cycloheptyl]methyl]propan-2-amine
CID 106943915
N-[[2-(4-chloro-2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 81032805

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dichlorophenyl)cycloheptyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,5-dichlorophenyl)cycloheptyl]methyl]propan-2-amine (CID 81025808) is N-[[2-(2,5-dichlorophenyl)cycloheptyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,5-dichlorophenyl)cycloheptyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,5-dichlorophenyl)cycloheptyl]methyl]propan-2-amine is CC(C)NCC1CCCCCC1c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[[2-(2,5-dichlorophenyl)cycloheptyl]methyl]propan-2-amine?
The InChIKey is KEOPFQVYJRWGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-12(2)20-11-13-6-4-3-5-7-15(13)16-10-14(18)8-9-17(16)19/h8-10,12-13,15,20H,3-7,11H2,1-2H3.
What are the key properties of N-[[2-(2,5-dichlorophenyl)cycloheptyl]methyl]propan-2-amine?
N-[[2-(2,5-dichlorophenyl)cycloheptyl]methyl]propan-2-amine has a molecular weight of 314.30 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,5-dichlorophenyl)cycloheptyl]methyl]propan-2-amine is sourced from PubChem (CID 81025808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).