N-[(3-amino-4-chlorophenyl)methyl]-N-methylcycloheptanamine

C15H23ClN2 — CID 43613742

IUPACN-[(3-amino-4-chlorophenyl)methyl]-N-methylcycloheptanamine
SMILESCN(Cc1ccc(Cl)c(N)c1)C1CCCCCC1
InChIInChI=1S/C15H23ClN2/c1-18(13-6-4-2-3-5-7-13)11-12-8-9-14(16)15(17)10-12/h8-10,13H,2-7,11,17H2,1H3
InChIKeyBNZCLNDDCXEOIF-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.08
Rot. Bonds3

About N-[(3-amino-4-chlorophenyl)methyl]-N-methylcycloheptanamine

N-[(3-amino-4-chlorophenyl)methyl]-N-methylcycloheptanamine (PubChem CID 43613742) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[(3-amino-4-chlorophenyl)methyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[(3-amino-4-chlorophenyl)methyl]-N-methylcycloheptanamine
PubChem CID43613742
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[(3-amino-4-chlorophenyl)methyl]-N-methylcycloheptanamine
SMILESCN(Cc1ccc(Cl)c(N)c1)C1CCCCCC1
InChIInChI=1S/C15H23ClN2/c1-18(13-6-4-2-3-5-7-13)11-12-8-9-14(16)15(17)10-12/h8-10,13H,2-7,11,17H2,1H3
InChIKeyBNZCLNDDCXEOIF-UHFFFAOYSA-N
XLogP4.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine
CID 90686398
N-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 55084699
N-[(4-chloro-3-methoxyphenyl)methyl]-N-methylcyclooctanamine
CID 21435419
N-[(4-amino-3-fluorophenyl)methyl]-N-methylcycloheptanamine
CID 55159078
4-chloro-2-[[cyclohexyl(methyl)amino]methyl]aniline
CID 79583096
5-[[butyl(cyclopropyl)amino]methyl]-2-chloroaniline
CID 61440983
4-chloro-2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 79583179
2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline
CID 63956947
ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine
CID 143603209
CID 174466109
CID 174466109
N-methyl-N-[(4-trimethylsilylphenyl)methyl]cycloheptanamine
CID 103438311
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62424446

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-chlorophenyl)methyl]-N-methylcycloheptanamine?
The IUPAC name of N-[(3-amino-4-chlorophenyl)methyl]-N-methylcycloheptanamine (CID 43613742) is N-[(3-amino-4-chlorophenyl)methyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[(3-amino-4-chlorophenyl)methyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[(3-amino-4-chlorophenyl)methyl]-N-methylcycloheptanamine is CN(Cc1ccc(Cl)c(N)c1)C1CCCCCC1.
What is the InChIKey of N-[(3-amino-4-chlorophenyl)methyl]-N-methylcycloheptanamine?
The InChIKey is BNZCLNDDCXEOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-18(13-6-4-2-3-5-7-13)11-12-8-9-14(16)15(17)10-12/h8-10,13H,2-7,11,17H2,1H3.
What are the key properties of N-[(3-amino-4-chlorophenyl)methyl]-N-methylcycloheptanamine?
N-[(3-amino-4-chlorophenyl)methyl]-N-methylcycloheptanamine has a molecular weight of 266.82 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-chlorophenyl)methyl]-N-methylcycloheptanamine is sourced from PubChem (CID 43613742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).