N-[2-(2-methylpropylamino)phenyl]formamide

C11H16N2O — CID 168653320

IUPACN-[2-(2-methylpropylamino)phenyl]formamide
SMILESCC(C)CNc1ccccc1NC=O
InChIInChI=1S/C11H16N2O/c1-9(2)7-12-10-5-3-4-6-11(10)13-8-14/h3-6,8-9,12H,7H2,1-2H3,(H,13,14)
InChIKeyZKRXNLAXLQZBHI-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.32
Rot. Bonds5

About N-[2-(2-methylpropylamino)phenyl]formamide

N-[2-(2-methylpropylamino)phenyl]formamide (PubChem CID 168653320) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-[2-(2-methylpropylamino)phenyl]formamide.

Molecular Properties

Compound NameN-[2-(2-methylpropylamino)phenyl]formamide
PubChem CID168653320
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-[2-(2-methylpropylamino)phenyl]formamide
SMILESCC(C)CNc1ccccc1NC=O
InChIInChI=1S/C11H16N2O/c1-9(2)7-12-10-5-3-4-6-11(10)13-8-14/h3-6,8-9,12H,7H2,1-2H3,(H,13,14)
InChIKeyZKRXNLAXLQZBHI-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-propan-2-ylphenyl)formamide
CID 22181996
N-(2-methylpropyl)-2-methylsulfonylaniline
CID 43388031
N-[2-[(2-formamidophenyl)methyl]phenyl]formamide
CID 54221440
3-formamido-2-methyl-N-(2-methylpropyl)benzamide
CID 168651028
N-(2-bromophenyl)formamide
CID 817914
tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate
CID 102449138
2-(diethylaminomethyl)-N-(2-methylpropyl)aniline
CID 43729309
2-ethynyl-N-(2-methylpropyl)aniline
CID 178134208
N-(2-bromophenyl)formamide;hydrochloride
CID 121229289
N-[2-(1,1-difluoropropan-2-yl)phenyl]formamide
CID 142226533
N-(2-tert-butylphenyl)formamide;ethane
CID 143497447
N-[2-(2,2-dimethylpropoxy)phenyl]formamide
CID 143321861

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropylamino)phenyl]formamide?
The IUPAC name of N-[2-(2-methylpropylamino)phenyl]formamide (CID 168653320) is N-[2-(2-methylpropylamino)phenyl]formamide.
What is the SMILES notation for N-[2-(2-methylpropylamino)phenyl]formamide?
The canonical SMILES for N-[2-(2-methylpropylamino)phenyl]formamide is CC(C)CNc1ccccc1NC=O.
What is the InChIKey of N-[2-(2-methylpropylamino)phenyl]formamide?
The InChIKey is ZKRXNLAXLQZBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9(2)7-12-10-5-3-4-6-11(10)13-8-14/h3-6,8-9,12H,7H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(2-methylpropylamino)phenyl]formamide?
N-[2-(2-methylpropylamino)phenyl]formamide has a molecular weight of 192.26 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropylamino)phenyl]formamide is sourced from PubChem (CID 168653320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).