[1-[(3,4-dichlorophenyl)methyl]cycloheptyl]methanamine

C15H21Cl2N — CID 65390706

IUPAC[1-[(3,4-dichlorophenyl)methyl]cycloheptyl]methanamine
SMILESNCC1(Cc2ccc(Cl)c(Cl)c2)CCCCCC1
InChIInChI=1S/C15H21Cl2N/c16-13-6-5-12(9-14(13)17)10-15(11-18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10-11,18H2
InChIKeyLGMLXDDPHLWTRB-UHFFFAOYSA-N
MW286.25 g/mol
LogP4.84
Rot. Bonds3

About [1-[(3,4-dichlorophenyl)methyl]cycloheptyl]methanamine

[1-[(3,4-dichlorophenyl)methyl]cycloheptyl]methanamine (PubChem CID 65390706) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is [1-[(3,4-dichlorophenyl)methyl]cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-[(3,4-dichlorophenyl)methyl]cycloheptyl]methanamine
PubChem CID65390706
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name[1-[(3,4-dichlorophenyl)methyl]cycloheptyl]methanamine
SMILESNCC1(Cc2ccc(Cl)c(Cl)c2)CCCCCC1
InChIInChI=1S/C15H21Cl2N/c16-13-6-5-12(9-14(13)17)10-15(11-18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10-11,18H2
InChIKeyLGMLXDDPHLWTRB-UHFFFAOYSA-N
XLogP4.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(3,4-dichlorophenyl)methyl]cyclohexyl]methanamine
CID 63522504
1,2-dichloro-4-[[1-(chloromethyl)cyclopropyl]methyl]benzene
CID 66033323
[4-[(4-chloro-3-fluorophenyl)methyl]oxan-4-yl]methanamine
CID 107897457
(1-benzylcycloheptyl)methanamine
CID 65391702
(1-benzylcyclooctyl)methanamine
CID 80602159
1-[(3,4-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 94697451
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(3,4-dichlorophenyl)methanamine
CID 103969053
[4-[[1-(aminomethyl)cyclopentyl]methyl]phenyl]methanol
CID 18999623
1-[(3,4-dichlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79834366
4-(chloromethyl)-4-[(3,4-dichlorophenyl)methyl]oxane
CID 66035545
[1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]methanamine
CID 82000970
[1-[(3-chloro-4-pyridinyl)methyl]cyclooctyl]methanamine
CID 80603981

Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-dichlorophenyl)methyl]cycloheptyl]methanamine?
The IUPAC name of [1-[(3,4-dichlorophenyl)methyl]cycloheptyl]methanamine (CID 65390706) is [1-[(3,4-dichlorophenyl)methyl]cycloheptyl]methanamine.
What is the SMILES notation for [1-[(3,4-dichlorophenyl)methyl]cycloheptyl]methanamine?
The canonical SMILES for [1-[(3,4-dichlorophenyl)methyl]cycloheptyl]methanamine is NCC1(Cc2ccc(Cl)c(Cl)c2)CCCCCC1.
What is the InChIKey of [1-[(3,4-dichlorophenyl)methyl]cycloheptyl]methanamine?
The InChIKey is LGMLXDDPHLWTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c16-13-6-5-12(9-14(13)17)10-15(11-18)7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10-11,18H2.
What are the key properties of [1-[(3,4-dichlorophenyl)methyl]cycloheptyl]methanamine?
[1-[(3,4-dichlorophenyl)methyl]cycloheptyl]methanamine has a molecular weight of 286.25 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-dichlorophenyl)methyl]cycloheptyl]methanamine is sourced from PubChem (CID 65390706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).