ethane;N-(2-methylphenyl)-1-phosphanylpiperidin-4-amine

C14H25N2P — CID 54240879

IUPACethane;N-(2-methylphenyl)-1-phosphanylpiperidin-4-amine
SMILESCC.Cc1ccccc1NC1CCN(P)CC1
InChIInChI=1S/C12H19N2P.C2H6/c1-10-4-2-3-5-12(10)13-11-6-8-14(15)9-7-11;1-2/h2-5,11,13H,6-9,15H2,1H3;1-2H3
InChIKeyQPXJTDDNTSWYGW-UHFFFAOYSA-N
MW252.34 g/mol
LogP3.69
Rot. Bonds2

About ethane;N-(2-methylphenyl)-1-phosphanylpiperidin-4-amine

ethane;N-(2-methylphenyl)-1-phosphanylpiperidin-4-amine (PubChem CID 54240879) has the molecular formula C14H25N2P and a molecular weight of 252.34 g/mol. Its IUPAC name is ethane;N-(2-methylphenyl)-1-phosphanylpiperidin-4-amine.

Molecular Properties

Compound Nameethane;N-(2-methylphenyl)-1-phosphanylpiperidin-4-amine
PubChem CID54240879
Molecular FormulaC14H25N2P
Molecular Weight252.34 g/mol
Exact Mass252.18
IUPAC Nameethane;N-(2-methylphenyl)-1-phosphanylpiperidin-4-amine
SMILESCC.Cc1ccccc1NC1CCN(P)CC1
InChIInChI=1S/C12H19N2P.C2H6/c1-10-4-2-3-5-12(10)13-11-6-8-14(15)9-7-11;1-2/h2-5,11,13H,6-9,15H2,1H3;1-2H3
InChIKeyQPXJTDDNTSWYGW-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-(2-methylphenyl)pyrrolidin-3-amine
CID 62976686
N,N-dimethyl-4-(2-methylanilino)piperidine-1-sulfonamide
CID 51106183
N-(2-methylphenyl)pyrrolidin-3-amine
CID 79725314
(3R)-3-(2-methylanilino)cyclopentan-1-one
CID 124706751
N-(2-methylphenyl)oxetan-3-amine
CID 63624753
(4-fluorophenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone
CID 3950968
2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43634045
N-(2-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43766112
(2S)-2-[4-(2-methylanilino)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
CID 95300521
2-methyl-N-(2-methylphenyl)oxolan-3-amine
CID 75525382
(4-ethyl-2-hydroxyphenyl)-[4-(2-methylanilino)piperidin-1-yl]methanone
CID 167744134
[4-[2-(2-methylphenyl)oxiran-2-yl]piperidin-1-yl]phosphane
CID 59874425

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methylphenyl)-1-phosphanylpiperidin-4-amine?
The IUPAC name of ethane;N-(2-methylphenyl)-1-phosphanylpiperidin-4-amine (CID 54240879) is ethane;N-(2-methylphenyl)-1-phosphanylpiperidin-4-amine.
What is the SMILES notation for ethane;N-(2-methylphenyl)-1-phosphanylpiperidin-4-amine?
The canonical SMILES for ethane;N-(2-methylphenyl)-1-phosphanylpiperidin-4-amine is CC.Cc1ccccc1NC1CCN(P)CC1.
What is the InChIKey of ethane;N-(2-methylphenyl)-1-phosphanylpiperidin-4-amine?
The InChIKey is QPXJTDDNTSWYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N2P.C2H6/c1-10-4-2-3-5-12(10)13-11-6-8-14(15)9-7-11;1-2/h2-5,11,13H,6-9,15H2,1H3;1-2H3.
What are the key properties of ethane;N-(2-methylphenyl)-1-phosphanylpiperidin-4-amine?
ethane;N-(2-methylphenyl)-1-phosphanylpiperidin-4-amine has a molecular weight of 252.34 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylphenyl)-1-phosphanylpiperidin-4-amine is sourced from PubChem (CID 54240879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).