N-butyl-N-dichloroboranylaniline

C10H14BCl2N — CID 71338608

IUPACN-butyl-N-dichloroboranylaniline
SMILESCCCCN(B(Cl)Cl)c1ccccc1
InChIInChI=1S/C10H14BCl2N/c1-2-3-9-14(11(12)13)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyULSYQKFMTBDRRB-UHFFFAOYSA-N
MW229.95 g/mol
LogP3.76
Rot. Bonds5

About N-butyl-N-dichloroboranylaniline

N-butyl-N-dichloroboranylaniline (PubChem CID 71338608) has the molecular formula C10H14BCl2N and a molecular weight of 229.95 g/mol. Its IUPAC name is N-butyl-N-dichloroboranylaniline.

Molecular Properties

Compound NameN-butyl-N-dichloroboranylaniline
PubChem CID71338608
Molecular FormulaC10H14BCl2N
Molecular Weight229.95 g/mol
Exact Mass229.06
IUPAC NameN-butyl-N-dichloroboranylaniline
SMILESCCCCN(B(Cl)Cl)c1ccccc1
InChIInChI=1S/C10H14BCl2N/c1-2-3-9-14(11(12)13)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyULSYQKFMTBDRRB-UHFFFAOYSA-N
XLogP3.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.95
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dimethylaniline
CID 949
N-Ethylaniline
CID 7670
N-Isopropylaniline
CID 13032
N,N-Diethyl-p-phenylenediamine
CID 7120
N,N-Diethylaniline
CID 7061
N,N,N',N'-tetramethyl-p-phenylenediamine
CID 7490
Trimethylphenylammonium iodide
CID 94135
N-Butylaniline
CID 14310
Aniline Mustard
CID 11108
N,N-Diethyl-p-phenylenediamine hydrochloride
CID 75145
Phenyltrimethylammonium chloride
CID 67309
1,2-Ethanediamine, N1-ethyl-N2,N2-dimethyl-N1-phenyl-
CID 33984

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-dichloroboranylaniline?
The IUPAC name of N-butyl-N-dichloroboranylaniline (CID 71338608) is N-butyl-N-dichloroboranylaniline.
What is the SMILES notation for N-butyl-N-dichloroboranylaniline?
The canonical SMILES for N-butyl-N-dichloroboranylaniline is CCCCN(B(Cl)Cl)c1ccccc1.
What is the InChIKey of N-butyl-N-dichloroboranylaniline?
The InChIKey is ULSYQKFMTBDRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BCl2N/c1-2-3-9-14(11(12)13)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3.
What are the key properties of N-butyl-N-dichloroboranylaniline?
N-butyl-N-dichloroboranylaniline has a molecular weight of 229.95 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-dichloroboranylaniline is sourced from PubChem (CID 71338608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).