3-[(2,4-dichlorophenyl)methyl]cycloheptan-1-amine

C14H19Cl2N — CID 64505554

IUPAC3-[(2,4-dichlorophenyl)methyl]cycloheptan-1-amine
SMILESNC1CCCCC(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H19Cl2N/c15-12-6-5-11(14(16)9-12)7-10-3-1-2-4-13(17)8-10/h5-6,9-10,13H,1-4,7-8,17H2
InChIKeyMRENTIYYAUWTNM-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.44
Rot. Bonds2

About 3-[(2,4-dichlorophenyl)methyl]cycloheptan-1-amine

3-[(2,4-dichlorophenyl)methyl]cycloheptan-1-amine (PubChem CID 64505554) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methyl]cycloheptan-1-amine
PubChem CID64505554
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name3-[(2,4-dichlorophenyl)methyl]cycloheptan-1-amine
SMILESNC1CCCCC(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H19Cl2N/c15-12-6-5-11(14(16)9-12)7-10-3-1-2-4-13(17)8-10/h5-6,9-10,13H,1-4,7-8,17H2
InChIKeyMRENTIYYAUWTNM-UHFFFAOYSA-N
XLogP4.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-3-[(2,4-dichlorophenyl)methyl]cycloheptane
CID 64507512
3-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine
CID 103050406
1-[(3-bromocyclohexyl)methyl]-2,4-dichlorobenzene
CID 64508500
3-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-amine
CID 107888146
5-chloro-2-(cyclohexylmethyl)aniline
CID 105481516
1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 43317354
2,4-dichloro-1-[(4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025447
[5-chloro-2-(cyclopentylmethyl)phenyl]hydrazine
CID 118042898
1-chloro-3-[(5-chloro-2-fluorophenyl)methyl]cycloheptane
CID 103050549
N-[(2,4-dichlorophenyl)methyl]-1-[3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride
CID 90665221
1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine
CID 65245032
3-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine
CID 64505305

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methyl]cycloheptan-1-amine?
The IUPAC name of 3-[(2,4-dichlorophenyl)methyl]cycloheptan-1-amine (CID 64505554) is 3-[(2,4-dichlorophenyl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methyl]cycloheptan-1-amine?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methyl]cycloheptan-1-amine is NC1CCCCC(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methyl]cycloheptan-1-amine?
The InChIKey is MRENTIYYAUWTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c15-12-6-5-11(14(16)9-12)7-10-3-1-2-4-13(17)8-10/h5-6,9-10,13H,1-4,7-8,17H2.
What are the key properties of 3-[(2,4-dichlorophenyl)methyl]cycloheptan-1-amine?
3-[(2,4-dichlorophenyl)methyl]cycloheptan-1-amine has a molecular weight of 272.22 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 64505554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).