N-phosphanyl-3-pyrrolidin-1-ylaniline

C10H15N2P — CID 59272549

IUPACN-phosphanyl-3-pyrrolidin-1-ylaniline
SMILESPNc1cccc(N2CCCC2)c1
InChIInChI=1S/C10H15N2P/c13-11-9-4-3-5-10(8-9)12-6-1-2-7-12/h3-5,8,11H,1-2,6-7,13H2
InChIKeyHPESSXTXYRRDMD-UHFFFAOYSA-N
MW194.22 g/mol
LogP2.49
Rot. Bonds2

About N-phosphanyl-3-pyrrolidin-1-ylaniline

N-phosphanyl-3-pyrrolidin-1-ylaniline (PubChem CID 59272549) has the molecular formula C10H15N2P and a molecular weight of 194.22 g/mol. Its IUPAC name is N-phosphanyl-3-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-phosphanyl-3-pyrrolidin-1-ylaniline
PubChem CID59272549
Molecular FormulaC10H15N2P
Molecular Weight194.22 g/mol
Exact Mass194.10
IUPAC NameN-phosphanyl-3-pyrrolidin-1-ylaniline
SMILESPNc1cccc(N2CCCC2)c1
InChIInChI=1S/C10H15N2P/c13-11-9-4-3-5-10(8-9)12-6-1-2-7-12/h3-5,8,11H,1-2,6-7,13H2
InChIKeyHPESSXTXYRRDMD-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 52.49
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

N-pentan-3-yl-3-pyrrolidin-1-ylaniline
CID 54864371
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
3-piperidin-1-ylbenzenethiol
CID 13029856
1-N-(3-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine
CID 80560827
N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 60942193
N-(3-methylbutyl)-3-pyrrolidin-1-ylaniline
CID 54864439
methyl N-(3-piperidin-1-ylphenyl)carbamate
CID 110362130
N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline
CID 62632471
2-chloro-N-(3-piperidin-1-ylphenyl)acetamide
CID 43822445
2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
CID 119892163
N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 60943058
N-(3-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
CID 79730271

Frequently Asked Questions

What is the IUPAC name of N-phosphanyl-3-pyrrolidin-1-ylaniline?
The IUPAC name of N-phosphanyl-3-pyrrolidin-1-ylaniline (CID 59272549) is N-phosphanyl-3-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-phosphanyl-3-pyrrolidin-1-ylaniline?
The canonical SMILES for N-phosphanyl-3-pyrrolidin-1-ylaniline is PNc1cccc(N2CCCC2)c1.
What is the InChIKey of N-phosphanyl-3-pyrrolidin-1-ylaniline?
The InChIKey is HPESSXTXYRRDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2P/c13-11-9-4-3-5-10(8-9)12-6-1-2-7-12/h3-5,8,11H,1-2,6-7,13H2.
What are the key properties of N-phosphanyl-3-pyrrolidin-1-ylaniline?
N-phosphanyl-3-pyrrolidin-1-ylaniline has a molecular weight of 194.22 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phosphanyl-3-pyrrolidin-1-ylaniline is sourced from PubChem (CID 59272549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).