(1R)-1-cyclopropyl-N-diphenylphosphoryl-1-phenylmethanamine

C22H22NOP — CID 101226824

IUPAC(1R)-1-cyclopropyl-N-diphenylphosphoryl-1-phenylmethanamine
SMILESO=P(N[C@@H](c1ccccc1)C1CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NOP/c24-25(20-12-6-2-7-13-20,21-14-8-3-9-15-21)23-22(19-16-17-19)18-10-4-1-5-11-18/h1-15,19,22H,16-17H2,(H,23,24)/t22-/m0/s1
InChIKeyHVCNOKZFBPVCIU-QFIPXVFZSA-N
MW347.40 g/mol
LogP4.66
Rot. Bonds6

About (1R)-1-cyclopropyl-N-diphenylphosphoryl-1-phenylmethanamine

(1R)-1-cyclopropyl-N-diphenylphosphoryl-1-phenylmethanamine (PubChem CID 101226824) has the molecular formula C22H22NOP and a molecular weight of 347.40 g/mol. Its IUPAC name is (1R)-1-cyclopropyl-N-diphenylphosphoryl-1-phenylmethanamine.

Molecular Properties

Compound Name(1R)-1-cyclopropyl-N-diphenylphosphoryl-1-phenylmethanamine
PubChem CID101226824
Molecular FormulaC22H22NOP
Molecular Weight347.40 g/mol
Exact Mass347.14
IUPAC Name(1R)-1-cyclopropyl-N-diphenylphosphoryl-1-phenylmethanamine
SMILESO=P(N[C@@H](c1ccccc1)C1CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NOP/c24-25(20-12-6-2-7-13-20,21-14-8-3-9-15-21)23-22(19-16-17-19)18-10-4-1-5-11-18/h1-15,19,22H,16-17H2,(H,23,24)/t22-/m0/s1
InChIKeyHVCNOKZFBPVCIU-QFIPXVFZSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
[cyclopropyl(phenyl)methyl]hydrazine
CID 53403097
cis-(1S,2R)-N-benzyl-2-[(S)-(diphenylphosphorylamino)-phenylmethyl]cyclopropane-1-carboxamide
CID 21014157
2,2,2-trichloro-N-diphenylphosphoryl-1-phenylethanamine
CID 122369831
N-[(S)-cyclopropyl(phenyl)methyl]methanesulfonamide
CID 94197122
4-bromo-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422798
4-[[cyclopropyl(phenyl)methyl]amino]phenol
CID 61313766
3-[[cyclopropyl(phenyl)methyl]amino]propanamide
CID 60713317
N'-[cyclopentyl(phenyl)methyl]benzohydrazide
CID 54339483
tri(propan-2-yl)silyl 3-[2-[(R)-(diphenylphosphorylamino)-phenylmethyl]cyclopropyl]propanoate
CID 101226827
2-[4-[[cyclopropyl(phenyl)methyl]amino]phenyl]acetamide
CID 61312189
2-[[cyclopropyl(phenyl)methyl]amino]oxyacetamide
CID 112672575

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopropyl-N-diphenylphosphoryl-1-phenylmethanamine?
The IUPAC name of (1R)-1-cyclopropyl-N-diphenylphosphoryl-1-phenylmethanamine (CID 101226824) is (1R)-1-cyclopropyl-N-diphenylphosphoryl-1-phenylmethanamine.
What is the SMILES notation for (1R)-1-cyclopropyl-N-diphenylphosphoryl-1-phenylmethanamine?
The canonical SMILES for (1R)-1-cyclopropyl-N-diphenylphosphoryl-1-phenylmethanamine is O=P(N[C@@H](c1ccccc1)C1CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-1-cyclopropyl-N-diphenylphosphoryl-1-phenylmethanamine?
The InChIKey is HVCNOKZFBPVCIU-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H22NOP/c24-25(20-12-6-2-7-13-20,21-14-8-3-9-15-21)23-22(19-16-17-19)18-10-4-1-5-11-18/h1-15,19,22H,16-17H2,(H,23,24)/t22-/m0/s1.
What are the key properties of (1R)-1-cyclopropyl-N-diphenylphosphoryl-1-phenylmethanamine?
(1R)-1-cyclopropyl-N-diphenylphosphoryl-1-phenylmethanamine has a molecular weight of 347.40 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopropyl-N-diphenylphosphoryl-1-phenylmethanamine is sourced from PubChem (CID 101226824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).