N-[phenyl(phosphanyl)methyl]butan-1-amine

C11H18NP — CID 176995195

IUPACN-[phenyl(phosphanyl)methyl]butan-1-amine
SMILESCCCCNC(P)c1ccccc1
InChIInChI=1S/C11H18NP/c1-2-3-9-12-11(13)10-7-5-4-6-8-10/h4-8,11-12H,2-3,9,13H2,1H3
InChIKeyARZAUUAOBWRPEO-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.95
Rot. Bonds5

About N-[phenyl(phosphanyl)methyl]butan-1-amine

N-[phenyl(phosphanyl)methyl]butan-1-amine (PubChem CID 176995195) has the molecular formula C11H18NP and a molecular weight of 195.25 g/mol. Its IUPAC name is N-[phenyl(phosphanyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[phenyl(phosphanyl)methyl]butan-1-amine
PubChem CID176995195
Molecular FormulaC11H18NP
Molecular Weight195.25 g/mol
Exact Mass195.12
IUPAC NameN-[phenyl(phosphanyl)methyl]butan-1-amine
SMILESCCCCNC(P)c1ccccc1
InChIInChI=1S/C11H18NP/c1-2-3-9-12-11(13)10-7-5-4-6-8-10/h4-8,11-12H,2-3,9,13H2,1H3
InChIKeyARZAUUAOBWRPEO-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.95
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

(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine
CID 100914664
N-benzhydryldecan-1-amine
CID 57251579
(1R,2R)-2-(butylamino)-1-phenylpropane-1-thiol
CID 129045615
N-benzhydrylhexan-1-amine;hydrate
CID 173442267
N-benzhydryloctan-1-amine;hydrate
CID 173441566
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
N-benzhydrylhexan-1-amine;hydrochloride
CID 173426900
N-benzhydryldecan-1-amine;hydrochloride
CID 173427301
2-(butylamino)-2-phenylacetamide
CID 14569005
N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 173151807
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
N-pentyl-1-phenyldecan-1-amine
CID 10380274

Frequently Asked Questions

What is the IUPAC name of N-[phenyl(phosphanyl)methyl]butan-1-amine?
The IUPAC name of N-[phenyl(phosphanyl)methyl]butan-1-amine (CID 176995195) is N-[phenyl(phosphanyl)methyl]butan-1-amine.
What is the SMILES notation for N-[phenyl(phosphanyl)methyl]butan-1-amine?
The canonical SMILES for N-[phenyl(phosphanyl)methyl]butan-1-amine is CCCCNC(P)c1ccccc1.
What is the InChIKey of N-[phenyl(phosphanyl)methyl]butan-1-amine?
The InChIKey is ARZAUUAOBWRPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NP/c1-2-3-9-12-11(13)10-7-5-4-6-8-10/h4-8,11-12H,2-3,9,13H2,1H3.
What are the key properties of N-[phenyl(phosphanyl)methyl]butan-1-amine?
N-[phenyl(phosphanyl)methyl]butan-1-amine has a molecular weight of 195.25 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(phosphanyl)methyl]butan-1-amine is sourced from PubChem (CID 176995195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).