N-[(3R)-3-dimethoxyphosphorylhexyl]aniline

C14H24NO3P — CID 23660291

IUPACN-[(3R)-3-dimethoxyphosphorylhexyl]aniline
SMILESCCC[C@H](CCNc1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C14H24NO3P/c1-4-8-14(19(16,17-2)18-3)11-12-15-13-9-6-5-7-10-13/h5-7,9-10,14-15H,4,8,11-12H2,1-3H3/t14-/m1/s1
InChIKeyTYXWHXURIIOCIR-CQSZACIVSA-N
MW285.32 g/mol
LogP4.14
Rot. Bonds9

About N-[(3R)-3-dimethoxyphosphorylhexyl]aniline

N-[(3R)-3-dimethoxyphosphorylhexyl]aniline (PubChem CID 23660291) has the molecular formula C14H24NO3P and a molecular weight of 285.32 g/mol. Its IUPAC name is N-[(3R)-3-dimethoxyphosphorylhexyl]aniline.

Molecular Properties

Compound NameN-[(3R)-3-dimethoxyphosphorylhexyl]aniline
PubChem CID23660291
Molecular FormulaC14H24NO3P
Molecular Weight285.32 g/mol
Exact Mass285.15
IUPAC NameN-[(3R)-3-dimethoxyphosphorylhexyl]aniline
SMILESCCC[C@H](CCNc1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C14H24NO3P/c1-4-8-14(19(16,17-2)18-3)11-12-15-13-9-6-5-7-10-13/h5-7,9-10,14-15H,4,8,11-12H2,1-3H3/t14-/m1/s1
InChIKeyTYXWHXURIIOCIR-CQSZACIVSA-N
XLogP4.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-propylaniline
CID 12153
N-(4-butyloctyl)aniline
CID 175196464
N-[2-(dimethoxymethyl)decyl]aniline
CID 152642326
N-(3,4-dimethylpentyl)aniline
CID 89346874
N-[5-(1,1-dimethoxyethyl)tridecyl]aniline
CID 151722105
disodium;N,N'-diphenylethane-1,2-diamine;hydride
CID 173210842
N-(4-methoxybutyl)aniline
CID 13042774
N-(3-methyl-4-trimethoxysilylbutyl)aniline
CID 21024234
1-anilinoheptacosan-13-ol
CID 151401190
N-(3-methoxypropyl)-N'-phenylethane-1,2-diamine
CID 54806182
N-nonadecylaniline
CID 54509054
(3S)-4-methyl-1-N-phenylpentane-1,3-diamine
CID 71530639

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-dimethoxyphosphorylhexyl]aniline?
The IUPAC name of N-[(3R)-3-dimethoxyphosphorylhexyl]aniline (CID 23660291) is N-[(3R)-3-dimethoxyphosphorylhexyl]aniline.
What is the SMILES notation for N-[(3R)-3-dimethoxyphosphorylhexyl]aniline?
The canonical SMILES for N-[(3R)-3-dimethoxyphosphorylhexyl]aniline is CCC[C@H](CCNc1ccccc1)P(=O)(OC)OC.
What is the InChIKey of N-[(3R)-3-dimethoxyphosphorylhexyl]aniline?
The InChIKey is TYXWHXURIIOCIR-CQSZACIVSA-N. The full InChI is InChI=1S/C14H24NO3P/c1-4-8-14(19(16,17-2)18-3)11-12-15-13-9-6-5-7-10-13/h5-7,9-10,14-15H,4,8,11-12H2,1-3H3/t14-/m1/s1.
What are the key properties of N-[(3R)-3-dimethoxyphosphorylhexyl]aniline?
N-[(3R)-3-dimethoxyphosphorylhexyl]aniline has a molecular weight of 285.32 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-dimethoxyphosphorylhexyl]aniline is sourced from PubChem (CID 23660291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).