N-(2-ditert-butylphosphanylethyl)-N-methylaniline;hydrochloride

C17H31ClNP — CID 11500644

IUPACN-(2-ditert-butylphosphanylethyl)-N-methylaniline;hydrochloride
SMILESCN(CCP(C(C)(C)C)C(C)(C)C)c1ccccc1.Cl
InChIInChI=1S/C17H30NP.ClH/c1-16(2,3)19(17(4,5)6)14-13-18(7)15-11-9-8-10-12-15;/h8-12H,13-14H2,1-7H3;1H
InChIKeyWQHHSNYCAGALLS-UHFFFAOYSA-N
MW315.87 g/mol
LogP5.62
Rot. Bonds4

About N-(2-ditert-butylphosphanylethyl)-N-methylaniline;hydrochloride

N-(2-ditert-butylphosphanylethyl)-N-methylaniline;hydrochloride (PubChem CID 11500644) has the molecular formula C17H31ClNP and a molecular weight of 315.87 g/mol. Its IUPAC name is N-(2-ditert-butylphosphanylethyl)-N-methylaniline;hydrochloride.

Molecular Properties

Compound NameN-(2-ditert-butylphosphanylethyl)-N-methylaniline;hydrochloride
PubChem CID11500644
Molecular FormulaC17H31ClNP
Molecular Weight315.87 g/mol
Exact Mass315.19
IUPAC NameN-(2-ditert-butylphosphanylethyl)-N-methylaniline;hydrochloride
SMILESCN(CCP(C(C)(C)C)C(C)(C)C)c1ccccc1.Cl
InChIInChI=1S/C17H30NP.ClH/c1-16(2,3)19(17(4,5)6)14-13-18(7)15-11-9-8-10-12-15;/h8-12H,13-14H2,1-7H3;1H
InChIKeyWQHHSNYCAGALLS-UHFFFAOYSA-N
XLogP5.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.87
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947
1-N,3-dimethyl-1-N-phenylbutane-1,3-diamine
CID 10797840
N-tert-butyl-N'-methyl-N'-phenylethane-1,2-diamine
CID 54807376
ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine
CID 177320801
2-(N-methylanilino)ethyl-triphenylphosphanium
CID 71322750
N-dodecyl-N-methylaniline;hydrochloride
CID 23333551
N-(3,3-dimethylbutyl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 55085467
N,N,N'-trimethyl-N'-[2-(N-methylanilino)ethyl]ethane-1,2-diamine
CID 70599954
ethane;N'-methyl-N,N'-diphenylethane-1,2-diamine
CID 142921032
N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 69244410
N-(4-fluoro-2,2-dimethylbutyl)-N-methylaniline
CID 155197841
N-heptyl-N-methylaniline
CID 54015540

Frequently Asked Questions

What is the IUPAC name of N-(2-ditert-butylphosphanylethyl)-N-methylaniline;hydrochloride?
The IUPAC name of N-(2-ditert-butylphosphanylethyl)-N-methylaniline;hydrochloride (CID 11500644) is N-(2-ditert-butylphosphanylethyl)-N-methylaniline;hydrochloride.
What is the SMILES notation for N-(2-ditert-butylphosphanylethyl)-N-methylaniline;hydrochloride?
The canonical SMILES for N-(2-ditert-butylphosphanylethyl)-N-methylaniline;hydrochloride is CN(CCP(C(C)(C)C)C(C)(C)C)c1ccccc1.Cl.
What is the InChIKey of N-(2-ditert-butylphosphanylethyl)-N-methylaniline;hydrochloride?
The InChIKey is WQHHSNYCAGALLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30NP.ClH/c1-16(2,3)19(17(4,5)6)14-13-18(7)15-11-9-8-10-12-15;/h8-12H,13-14H2,1-7H3;1H.
What are the key properties of N-(2-ditert-butylphosphanylethyl)-N-methylaniline;hydrochloride?
N-(2-ditert-butylphosphanylethyl)-N-methylaniline;hydrochloride has a molecular weight of 315.87 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ditert-butylphosphanylethyl)-N-methylaniline;hydrochloride is sourced from PubChem (CID 11500644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).