(2S,5S)-N-butyl-2,5-bis(4-methylphenyl)phospholan-1-amine

C22H30NP — CID 134344236

IUPAC(2S,5S)-N-butyl-2,5-bis(4-methylphenyl)phospholan-1-amine
SMILESCCCCNP1[C@H](c2ccc(C)cc2)CC[C@H]1c1ccc(C)cc1
InChIInChI=1S/C22H30NP/c1-4-5-16-23-24-21(19-10-6-17(2)7-11-19)14-15-22(24)20-12-8-18(3)9-13-20/h6-13,21-23H,4-5,14-16H2,1-3H3/t21-,22-/m0/s1
InChIKeyMJUCEUCVCPJFHC-VXKWHMMOSA-N
MW339.46 g/mol
LogP6.67
Rot. Bonds6

About (2S,5S)-N-butyl-2,5-bis(4-methylphenyl)phospholan-1-amine

(2S,5S)-N-butyl-2,5-bis(4-methylphenyl)phospholan-1-amine (PubChem CID 134344236) has the molecular formula C22H30NP and a molecular weight of 339.46 g/mol. Its IUPAC name is (2S,5S)-N-butyl-2,5-bis(4-methylphenyl)phospholan-1-amine.

Molecular Properties

Compound Name(2S,5S)-N-butyl-2,5-bis(4-methylphenyl)phospholan-1-amine
PubChem CID134344236
Molecular FormulaC22H30NP
Molecular Weight339.46 g/mol
Exact Mass339.21
IUPAC Name(2S,5S)-N-butyl-2,5-bis(4-methylphenyl)phospholan-1-amine
SMILESCCCCNP1[C@H](c2ccc(C)cc2)CC[C@H]1c1ccc(C)cc1
InChIInChI=1S/C22H30NP/c1-4-5-16-23-24-21(19-10-6-17(2)7-11-19)14-15-22(24)20-12-8-18(3)9-13-20/h6-13,21-23H,4-5,14-16H2,1-3H3/t21-,22-/m0/s1
InChIKeyMJUCEUCVCPJFHC-VXKWHMMOSA-N
XLogP6.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.46
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S,5S)-N-butyl-2,5-bis(4-methylphenyl)phospholan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine
CID 134344024
N-ethyl-2,5-diphenylphospholan-1-amine
CID 140850108
N-butyl-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633076
bis(2-fluorophenyl)-iodophosphane;(2R,5R)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-butyl-2,5-diphenylphospholan-1-amine;N,N-diethylethanamine;ethane
CID 159488264
2,2-dimethyl-3-(4-methylphenyl)-5-pentyl-1,2-oxazolidin-2-ium iodide
CID 13143900
1-N-butyl-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109145059
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068
N'-butyl-4-methylbenzohydrazide
CID 118418346
formaldehyde;hexane;1,4-xylene
CID 143308406
1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene
CID 15556691
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine
CID 17054354
tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene)
CID 158284409

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-N-butyl-2,5-bis(4-methylphenyl)phospholan-1-amine?
The IUPAC name of (2S,5S)-N-butyl-2,5-bis(4-methylphenyl)phospholan-1-amine (CID 134344236) is (2S,5S)-N-butyl-2,5-bis(4-methylphenyl)phospholan-1-amine.
What is the SMILES notation for (2S,5S)-N-butyl-2,5-bis(4-methylphenyl)phospholan-1-amine?
The canonical SMILES for (2S,5S)-N-butyl-2,5-bis(4-methylphenyl)phospholan-1-amine is CCCCNP1[C@H](c2ccc(C)cc2)CC[C@H]1c1ccc(C)cc1.
What is the InChIKey of (2S,5S)-N-butyl-2,5-bis(4-methylphenyl)phospholan-1-amine?
The InChIKey is MJUCEUCVCPJFHC-VXKWHMMOSA-N. The full InChI is InChI=1S/C22H30NP/c1-4-5-16-23-24-21(19-10-6-17(2)7-11-19)14-15-22(24)20-12-8-18(3)9-13-20/h6-13,21-23H,4-5,14-16H2,1-3H3/t21-,22-/m0/s1.
What are the key properties of (2S,5S)-N-butyl-2,5-bis(4-methylphenyl)phospholan-1-amine?
(2S,5S)-N-butyl-2,5-bis(4-methylphenyl)phospholan-1-amine has a molecular weight of 339.46 g/mol, XLogP of 6.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-N-butyl-2,5-bis(4-methylphenyl)phospholan-1-amine is sourced from PubChem (CID 134344236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).