molecular hydrogen;(2S)-1-phenyl-N-phosphanylpropan-2-amine

C9H16NP — CID 144911741

IUPACmolecular hydrogen;(2S)-1-phenyl-N-phosphanylpropan-2-amine
SMILESC[C@@H](Cc1ccccc1)NP.[H][H]
InChIInChI=1S/C9H14NP.H2/c1-8(10-11)7-9-5-3-2-4-6-9;/h2-6,8,10H,7,11H2,1H3;1H/t8-;/m0./s1
InChIKeyMUABXMSHNGKMKU-QRPNPIFTSA-N
MW169.21 g/mol
LogP2.24
Rot. Bonds3

About molecular hydrogen;(2S)-1-phenyl-N-phosphanylpropan-2-amine

molecular hydrogen;(2S)-1-phenyl-N-phosphanylpropan-2-amine (PubChem CID 144911741) has the molecular formula C9H16NP and a molecular weight of 169.21 g/mol. Its IUPAC name is molecular hydrogen;(2S)-1-phenyl-N-phosphanylpropan-2-amine.

Molecular Properties

Compound Namemolecular hydrogen;(2S)-1-phenyl-N-phosphanylpropan-2-amine
PubChem CID144911741
Molecular FormulaC9H16NP
Molecular Weight169.21 g/mol
Exact Mass169.10
IUPAC Namemolecular hydrogen;(2S)-1-phenyl-N-phosphanylpropan-2-amine
SMILESC[C@@H](Cc1ccccc1)NP.[H][H]
InChIInChI=1S/C9H14NP.H2/c1-8(10-11)7-9-5-3-2-4-6-9;/h2-6,8,10H,7,11H2,1H3;1H/t8-;/m0./s1
InChIKeyMUABXMSHNGKMKU-QRPNPIFTSA-N
XLogP2.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 52.24
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

N-methyl-1-phenylpropan-2-amine
CID 118309477
1-methyl-2-(1-phenylpropan-2-yl)hydrazine
CID 26556
N-(1-phenylpropan-2-yl)thiohydroxylamine
CID 23498394
potassium;hydride;N-methyl-1-phenylpropan-2-amine
CID 175165101
ethane;2-methylpropylbenzene
CID 162200929
(1-phenylpropan-2-ylamino)methanol
CID 54463712
methoxy-[[(2S)-1-phenylpropan-2-yl]amino]methanol
CID 156733135
N-(1-phenylpropan-2-yl)-2-propan-2-ylaniline
CID 55200343
N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117
2-benzyl-N-(2-methylpropyl)-3-phenylpropan-1-amine
CID 63496022
(2S)-2-methyl-3-phenyl-N-[(2R)-1-phenylpropan-2-yl]propan-1-amine
CID 14397821
(2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene
CID 174875624

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;(2S)-1-phenyl-N-phosphanylpropan-2-amine?
The IUPAC name of molecular hydrogen;(2S)-1-phenyl-N-phosphanylpropan-2-amine (CID 144911741) is molecular hydrogen;(2S)-1-phenyl-N-phosphanylpropan-2-amine.
What is the SMILES notation for molecular hydrogen;(2S)-1-phenyl-N-phosphanylpropan-2-amine?
The canonical SMILES for molecular hydrogen;(2S)-1-phenyl-N-phosphanylpropan-2-amine is C[C@@H](Cc1ccccc1)NP.[H][H].
What is the InChIKey of molecular hydrogen;(2S)-1-phenyl-N-phosphanylpropan-2-amine?
The InChIKey is MUABXMSHNGKMKU-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H14NP.H2/c1-8(10-11)7-9-5-3-2-4-6-9;/h2-6,8,10H,7,11H2,1H3;1H/t8-;/m0./s1.
What are the key properties of molecular hydrogen;(2S)-1-phenyl-N-phosphanylpropan-2-amine?
molecular hydrogen;(2S)-1-phenyl-N-phosphanylpropan-2-amine has a molecular weight of 169.21 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;(2S)-1-phenyl-N-phosphanylpropan-2-amine is sourced from PubChem (CID 144911741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).