N-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-phenylmethanamine

C41H43NP2 — CID 164684801

IUPACN-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-phenylmethanamine
SMILESc1ccc(CN(CP2[C@@H](c3ccccc3)CC[C@@H]2c2ccccc2)CP2[C@H](c3ccccc3)CC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C41H43NP2/c1-6-16-33(17-7-1)30-42(31-43-38(34-18-8-2-9-19-34)26-27-39(43)35-20-10-3-11-21-35)32-44-40(36-22-12-4-13-23-36)28-29-41(44)37-24-14-5-15-25-37/h1-25,38-41H,26-32H2/t38-,39-,40+,41+
InChIKeyLFSISURFXBKCIY-UHPHPOBLSA-N
MW611.75 g/mol
LogP11.92
Rot. Bonds10

About N-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-phenylmethanamine

N-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-phenylmethanamine (PubChem CID 164684801) has the molecular formula C41H43NP2 and a molecular weight of 611.75 g/mol. Its IUPAC name is N-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-phenylmethanamine
PubChem CID164684801
Molecular FormulaC41H43NP2
Molecular Weight611.75 g/mol
Exact Mass611.29
IUPAC NameN-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-phenylmethanamine
SMILESc1ccc(CN(CP2[C@@H](c3ccccc3)CC[C@@H]2c2ccccc2)CP2[C@H](c3ccccc3)CC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C41H43NP2/c1-6-16-33(17-7-1)30-42(31-43-38(34-18-8-2-9-19-34)26-27-39(43)35-20-10-3-11-21-35)32-44-40(36-22-12-4-13-23-36)28-29-41(44)37-24-14-5-15-25-37/h1-25,38-41H,26-32H2/t38-,39-,40+,41+
InChIKeyLFSISURFXBKCIY-UHPHPOBLSA-N
XLogP11.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.75
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-phenylmethanamine (CID 164684801) is N-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-phenylmethanamine is c1ccc(CN(CP2[C@@H](c3ccccc3)CC[C@@H]2c2ccccc2)CP2[C@H](c3ccccc3)CC[C@H]2c2ccccc2)cc1.
What is the InChIKey of N-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-phenylmethanamine?
The InChIKey is LFSISURFXBKCIY-UHPHPOBLSA-N. The full InChI is InChI=1S/C41H43NP2/c1-6-16-33(17-7-1)30-42(31-43-38(34-18-8-2-9-19-34)26-27-39(43)35-20-10-3-11-21-35)32-44-40(36-22-12-4-13-23-36)28-29-41(44)37-24-14-5-15-25-37/h1-25,38-41H,26-32H2/t38-,39-,40+,41+.
What are the key properties of N-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-phenylmethanamine?
N-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-phenylmethanamine has a molecular weight of 611.75 g/mol, XLogP of 11.92, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,5R)-2,5-diphenylphospholan-1-yl]methyl]-N-[[(2S,5S)-2,5-diphenylphospholan-1-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 164684801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).