N,N-dibenzyl-1-[2-bis(phenylmethoxy)phosphorylethyl]cyclopropan-1-amine

C33H36NO3P — CID 101016693

IUPACN,N-dibenzyl-1-[2-bis(phenylmethoxy)phosphorylethyl]cyclopropan-1-amine
SMILESO=P(CCC1(N(Cc2ccccc2)Cc2ccccc2)CC1)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C33H36NO3P/c35-38(36-27-31-17-9-3-10-18-31,37-28-32-19-11-4-12-20-32)24-23-33(21-22-33)34(25-29-13-5-1-6-14-29)26-30-15-7-2-8-16-30/h1-20H,21-28H2
InChIKeyCCJVUCFZLXVIGW-UHFFFAOYSA-N
MW525.63 g/mol
LogP8.24
Rot. Bonds14

About N,N-dibenzyl-1-[2-bis(phenylmethoxy)phosphorylethyl]cyclopropan-1-amine

N,N-dibenzyl-1-[2-bis(phenylmethoxy)phosphorylethyl]cyclopropan-1-amine (PubChem CID 101016693) has the molecular formula C33H36NO3P and a molecular weight of 525.63 g/mol. Its IUPAC name is N,N-dibenzyl-1-[2-bis(phenylmethoxy)phosphorylethyl]cyclopropan-1-amine.

Molecular Properties

Compound NameN,N-dibenzyl-1-[2-bis(phenylmethoxy)phosphorylethyl]cyclopropan-1-amine
PubChem CID101016693
Molecular FormulaC33H36NO3P
Molecular Weight525.63 g/mol
Exact Mass525.24
IUPAC NameN,N-dibenzyl-1-[2-bis(phenylmethoxy)phosphorylethyl]cyclopropan-1-amine
SMILESO=P(CCC1(N(Cc2ccccc2)Cc2ccccc2)CC1)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C33H36NO3P/c35-38(36-27-31-17-9-3-10-18-31,37-28-32-19-11-4-12-20-32)24-23-33(21-22-33)34(25-29-13-5-1-6-14-29)26-30-15-7-2-8-16-30/h1-20H,21-28H2
InChIKeyCCJVUCFZLXVIGW-UHFFFAOYSA-N
XLogP8.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.63
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dibenzyl P-(N-Benzyl-N-hydroxyaminomethyl)phosphonate
CID 19883771
(E)-N,N'-dibenzyl-N,N'-bis[methyl(1-phenylethenoxy)phosphoryl]but-2-ene-1,4-diamine
CID 102147222
1-Benzyl-2-bis(phenylmethoxy)phosphoryl-2-methylpyrrolidine
CID 102449166
N-benzyl-N-bis(phenylmethoxy)phosphorylethanamine
CID 134907355
(2S,4S,5R)-4-methyl-5-phenyl-2-prop-2-enyl-3-trityl-1,3,2lambda5-oxazaphospholidine 2-oxide
CID 134978077
(2R,4S,5R)-4-methyl-5-phenyl-2-prop-2-enyl-3-trityl-1,3,2lambda5-oxazaphospholidine 2-oxide
CID 134995009
N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-phenylmethanamine
CID 135004441
N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-(4-fluorophenyl)methanamine
CID 102518496
N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 102518499
N-[[methyl(phenylmethoxy)phosphoryl]methyl]-1,1,1-triphenylmethanamine
CID 11590316
Dibenzyl P-[alpha-(N-Benzyl-N-hydroxyamino)benzyl]phosphonate
CID 19883779
N-benzyl-N-[2-bis(phenylmethoxy)phosphorylpropyl]hydroxylamine
CID 19883781

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-[2-bis(phenylmethoxy)phosphorylethyl]cyclopropan-1-amine?
The IUPAC name of N,N-dibenzyl-1-[2-bis(phenylmethoxy)phosphorylethyl]cyclopropan-1-amine (CID 101016693) is N,N-dibenzyl-1-[2-bis(phenylmethoxy)phosphorylethyl]cyclopropan-1-amine.
What is the SMILES notation for N,N-dibenzyl-1-[2-bis(phenylmethoxy)phosphorylethyl]cyclopropan-1-amine?
The canonical SMILES for N,N-dibenzyl-1-[2-bis(phenylmethoxy)phosphorylethyl]cyclopropan-1-amine is O=P(CCC1(N(Cc2ccccc2)Cc2ccccc2)CC1)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of N,N-dibenzyl-1-[2-bis(phenylmethoxy)phosphorylethyl]cyclopropan-1-amine?
The InChIKey is CCJVUCFZLXVIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36NO3P/c35-38(36-27-31-17-9-3-10-18-31,37-28-32-19-11-4-12-20-32)24-23-33(21-22-33)34(25-29-13-5-1-6-14-29)26-30-15-7-2-8-16-30/h1-20H,21-28H2.
What are the key properties of N,N-dibenzyl-1-[2-bis(phenylmethoxy)phosphorylethyl]cyclopropan-1-amine?
N,N-dibenzyl-1-[2-bis(phenylmethoxy)phosphorylethyl]cyclopropan-1-amine has a molecular weight of 525.63 g/mol, XLogP of 8.24, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-[2-bis(phenylmethoxy)phosphorylethyl]cyclopropan-1-amine is sourced from PubChem (CID 101016693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).