N-[3-(3-methylphenyl)propyl]-2-phosphanylpropan-1-amine

C13H22NP — CID 142861995

IUPACN-[3-(3-methylphenyl)propyl]-2-phosphanylpropan-1-amine
SMILESCc1cccc(CCCNCC(C)P)c1
InChIInChI=1S/C13H22NP/c1-11-5-3-6-13(9-11)7-4-8-14-10-12(2)15/h3,5-6,9,12,14H,4,7-8,10,15H2,1-2H3
InChIKeyHOMFEVIFJOUNJI-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.78
Rot. Bonds6

About N-[3-(3-methylphenyl)propyl]-2-phosphanylpropan-1-amine

N-[3-(3-methylphenyl)propyl]-2-phosphanylpropan-1-amine (PubChem CID 142861995) has the molecular formula C13H22NP and a molecular weight of 223.30 g/mol. Its IUPAC name is N-[3-(3-methylphenyl)propyl]-2-phosphanylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(3-methylphenyl)propyl]-2-phosphanylpropan-1-amine
PubChem CID142861995
Molecular FormulaC13H22NP
Molecular Weight223.30 g/mol
Exact Mass223.15
IUPAC NameN-[3-(3-methylphenyl)propyl]-2-phosphanylpropan-1-amine
SMILESCc1cccc(CCCNCC(C)P)c1
InChIInChI=1S/C13H22NP/c1-11-5-3-6-13(9-11)7-4-8-14-10-12(2)15/h3,5-6,9,12,14H,4,7-8,10,15H2,1-2H3
InChIKeyHOMFEVIFJOUNJI-UHFFFAOYSA-N
XLogP2.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.78
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'}

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Related Compounds

2-methyl-N-[3-(3-methylphenyl)propyl]propan-1-amine
CID 62367422
(2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol
CID 106932064
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680
2-methyl-N'-[2-(3-methylphenyl)ethyl]propane-1,3-diamine
CID 115198795
N'-tert-butyl-N-[3-(3-methylphenyl)propyl]ethane-1,2-diamine
CID 113405357
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
N-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 62315355
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
3-chloro-N-[2-(3-methylphenyl)ethyl]propan-1-amine
CID 115215880
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
N-[3-(3-methylphenyl)propyl]aniline
CID 62365007
5-(3-methylphenyl)pentan-2-amine
CID 64502928

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylphenyl)propyl]-2-phosphanylpropan-1-amine?
The IUPAC name of N-[3-(3-methylphenyl)propyl]-2-phosphanylpropan-1-amine (CID 142861995) is N-[3-(3-methylphenyl)propyl]-2-phosphanylpropan-1-amine.
What is the SMILES notation for N-[3-(3-methylphenyl)propyl]-2-phosphanylpropan-1-amine?
The canonical SMILES for N-[3-(3-methylphenyl)propyl]-2-phosphanylpropan-1-amine is Cc1cccc(CCCNCC(C)P)c1.
What is the InChIKey of N-[3-(3-methylphenyl)propyl]-2-phosphanylpropan-1-amine?
The InChIKey is HOMFEVIFJOUNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22NP/c1-11-5-3-6-13(9-11)7-4-8-14-10-12(2)15/h3,5-6,9,12,14H,4,7-8,10,15H2,1-2H3.
What are the key properties of N-[3-(3-methylphenyl)propyl]-2-phosphanylpropan-1-amine?
N-[3-(3-methylphenyl)propyl]-2-phosphanylpropan-1-amine has a molecular weight of 223.30 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylphenyl)propyl]-2-phosphanylpropan-1-amine is sourced from PubChem (CID 142861995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).