(2-pentylphosphanylphenyl)methanamine

C12H20NP — CID 151860169

IUPAC(2-pentylphosphanylphenyl)methanamine
SMILESCCCCCPc1ccccc1CN
InChIInChI=1S/C12H20NP/c1-2-3-6-9-14-12-8-5-4-7-11(12)10-13/h4-5,7-8,14H,2-3,6,9-10,13H2,1H3
InChIKeySKNWQZZFHUIKBG-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.64
Rot. Bonds6

About (2-pentylphosphanylphenyl)methanamine

(2-pentylphosphanylphenyl)methanamine (PubChem CID 151860169) has the molecular formula C12H20NP and a molecular weight of 209.27 g/mol. Its IUPAC name is (2-pentylphosphanylphenyl)methanamine.

Molecular Properties

Compound Name(2-pentylphosphanylphenyl)methanamine
PubChem CID151860169
Molecular FormulaC12H20NP
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name(2-pentylphosphanylphenyl)methanamine
SMILESCCCCCPc1ccccc1CN
InChIInChI=1S/C12H20NP/c1-2-3-6-9-14-12-8-5-4-7-11(12)10-13/h4-5,7-8,14H,2-3,6,9-10,13H2,1H3
InChIKeySKNWQZZFHUIKBG-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.64
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-heptylphenyl)methanamine
CID 57355618
(2,3-dimethylphenyl)-heptylphosphane
CID 150201663
hexadecyl(phenyl)phosphane
CID 23361411
nonyl(phenyl)phosphane
CID 69424973
hexyl(phenyl)phosphane;dihydrochloride
CID 175399433
acridin-1-yl(pentyl)phosphane
CID 174995472
butyl-[8-(butylphosphanylmethyl)naphthalen-1-yl]phosphane
CID 90291267
(2-ethylphenyl)-[(2-ethylphenyl)phosphanylmethyl]phosphane
CID 174976711
hexyl-(2,3,4-trimethylphenyl)phosphane
CID 90109528
5-(2-pentylphenyl)pentan-1-amine
CID 54207535
(2-ethoxyphenyl)methanamine;undecan-1-amine
CID 158338223
1-dodecyl-2-hexylbenzene
CID 19371073

Frequently Asked Questions

What is the IUPAC name of (2-pentylphosphanylphenyl)methanamine?
The IUPAC name of (2-pentylphosphanylphenyl)methanamine (CID 151860169) is (2-pentylphosphanylphenyl)methanamine.
What is the SMILES notation for (2-pentylphosphanylphenyl)methanamine?
The canonical SMILES for (2-pentylphosphanylphenyl)methanamine is CCCCCPc1ccccc1CN.
What is the InChIKey of (2-pentylphosphanylphenyl)methanamine?
The InChIKey is SKNWQZZFHUIKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NP/c1-2-3-6-9-14-12-8-5-4-7-11(12)10-13/h4-5,7-8,14H,2-3,6,9-10,13H2,1H3.
What are the key properties of (2-pentylphosphanylphenyl)methanamine?
(2-pentylphosphanylphenyl)methanamine has a molecular weight of 209.27 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pentylphosphanylphenyl)methanamine is sourced from PubChem (CID 151860169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).