N-[bis(dimethylamino)phosphorylmethyl]aniline

C11H20N3OP — CID 4081083

IUPACN-[bis(dimethylamino)phosphorylmethyl]aniline
SMILESCN(C)P(=O)(CNc1ccccc1)N(C)C
InChIInChI=1S/C11H20N3OP/c1-13(2)16(15,14(3)4)10-12-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3
InChIKeyGSNUQWNFSMVDOK-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.37
Rot. Bonds5

About N-[bis(dimethylamino)phosphorylmethyl]aniline

N-[bis(dimethylamino)phosphorylmethyl]aniline (PubChem CID 4081083) has the molecular formula C11H20N3OP and a molecular weight of 241.28 g/mol. Its IUPAC name is N-[bis(dimethylamino)phosphorylmethyl]aniline.

Molecular Properties

Compound NameN-[bis(dimethylamino)phosphorylmethyl]aniline
PubChem CID4081083
Molecular FormulaC11H20N3OP
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC NameN-[bis(dimethylamino)phosphorylmethyl]aniline
SMILESCN(C)P(=O)(CNc1ccccc1)N(C)C
InChIInChI=1S/C11H20N3OP/c1-13(2)16(15,14(3)4)10-12-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3
InChIKeyGSNUQWNFSMVDOK-UHFFFAOYSA-N
XLogP2.37
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

anilinomethyl(phenyl)phosphinic acid
CID 134996335
N-(anilinomethyl)-N-methylacetamide
CID 102126839
1-N,3-N-bis[bis(phenylperoxy)phosphorylmethyl]benzene-1,3-diamine
CID 88525546
3-anilino-N,N-dimethylpropanamide
CID 60961994
3-(2-anilinoethyl)-1,1-dimethylurea
CID 142040993
N-[anilino(diethylamino)phosphoryl]aniline
CID 17186015
3-anilinopropan-1-ol;phosphoric acid
CID 66984453
N-dimethylphosphoryl-1-phenylmethanamine
CID 163638802
N-(2-iodoethyl)aniline
CID 11184197
magnesium;N-ethylaniline;dibromide
CID 175384218
N-propylaniline
CID 12153
2-[anilinomethyl(methyl)amino]-N,N-dimethylacetamide
CID 141036638

Frequently Asked Questions

What is the IUPAC name of N-[bis(dimethylamino)phosphorylmethyl]aniline?
The IUPAC name of N-[bis(dimethylamino)phosphorylmethyl]aniline (CID 4081083) is N-[bis(dimethylamino)phosphorylmethyl]aniline.
What is the SMILES notation for N-[bis(dimethylamino)phosphorylmethyl]aniline?
The canonical SMILES for N-[bis(dimethylamino)phosphorylmethyl]aniline is CN(C)P(=O)(CNc1ccccc1)N(C)C.
What is the InChIKey of N-[bis(dimethylamino)phosphorylmethyl]aniline?
The InChIKey is GSNUQWNFSMVDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N3OP/c1-13(2)16(15,14(3)4)10-12-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3.
What are the key properties of N-[bis(dimethylamino)phosphorylmethyl]aniline?
N-[bis(dimethylamino)phosphorylmethyl]aniline has a molecular weight of 241.28 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(dimethylamino)phosphorylmethyl]aniline is sourced from PubChem (CID 4081083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).