3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine

C11H15ClN2 — CID 104834099

IUPAC3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine
SMILESNc1c(Cl)cccc1NCC1CCC1
InChIInChI=1S/C11H15ClN2/c12-9-5-2-6-10(11(9)13)14-7-8-3-1-4-8/h2,5-6,8,14H,1,3-4,7,13H2
InChIKeyDFJQZHSEBPKVGY-UHFFFAOYSA-N
MW210.71 g/mol
LogP3.13
Rot. Bonds3

About 3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine

3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine (PubChem CID 104834099) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine
PubChem CID104834099
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine
SMILESNc1c(Cl)cccc1NCC1CCC1
InChIInChI=1S/C11H15ClN2/c12-9-5-2-6-10(11(9)13)14-7-8-3-1-4-8/h2,5-6,8,14H,1,3-4,7,13H2
InChIKeyDFJQZHSEBPKVGY-UHFFFAOYSA-N
XLogP3.13
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-N-(cyclohexylmethyl)benzene-1,2-diamine
CID 104834104
3-chloro-1-N-[(4-methylcyclohexyl)methyl]benzene-1,2-diamine
CID 113458634
2-chloro-N-(cyclopentylmethyl)aniline
CID 61344994
2-amino-3-(cyclobutylmethylamino)benzonitrile
CID 104716296
2-amino-3-(cyclobutylmethylamino)benzamide
CID 115544780
1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 113393307
2-amino-3-(cyclopentylmethylamino)benzenesulfonamide
CID 112674678
1-N-(cyclopropylmethyl)-3-fluorobenzene-1,2-diamine
CID 60783209
3-chloro-1-N-(cyclohexylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43739757
2-chloro-6-(cyclopentylmethylamino)benzoic acid
CID 62710285
2-amino-3-chloro-N-(cyclobutylmethyl)benzamide
CID 115540048
N-(azepan-4-ylmethyl)-2-chloroaniline
CID 84700952

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine (CID 104834099) is 3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine is Nc1c(Cl)cccc1NCC1CCC1.
What is the InChIKey of 3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine?
The InChIKey is DFJQZHSEBPKVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c12-9-5-2-6-10(11(9)13)14-7-8-3-1-4-8/h2,5-6,8,14H,1,3-4,7,13H2.
What are the key properties of 3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine?
3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine has a molecular weight of 210.71 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 104834099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).