N-[4-(1-aminopropan-2-yl)phenyl]formamide

C10H14N2O — CID 178094530

IUPACN-[4-(1-aminopropan-2-yl)phenyl]formamide
SMILESCC(CN)c1ccc(NC=O)cc1
InChIInChI=1S/C10H14N2O/c1-8(6-11)9-2-4-10(5-3-9)12-7-13/h2-5,7-8H,6,11H2,1H3,(H,12,13)
InChIKeyPWDPXVLPMFECRC-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.32
Rot. Bonds4

About N-[4-(1-aminopropan-2-yl)phenyl]formamide

N-[4-(1-aminopropan-2-yl)phenyl]formamide (PubChem CID 178094530) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is N-[4-(1-aminopropan-2-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(1-aminopropan-2-yl)phenyl]formamide
PubChem CID178094530
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC NameN-[4-(1-aminopropan-2-yl)phenyl]formamide
SMILESCC(CN)c1ccc(NC=O)cc1
InChIInChI=1S/C10H14N2O/c1-8(6-11)9-2-4-10(5-3-9)12-7-13/h2-5,7-8H,6,11H2,1H3,(H,12,13)
InChIKeyPWDPXVLPMFECRC-UHFFFAOYSA-N
XLogP1.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Isoproturon
CID 36679
4-Methylacetanilide
CID 7684
N-Acetyl-4-aminobiphenyl
CID 19998
N-(2,4-Dimethylphenyl)formamide
CID 92363
Acetylbenzidine
CID 18787
4,4'-Methylenebis(N-methylaniline)
CID 15735
N-(4-Methylphenyl)urea
CID 12148
Formamide, N-(2-methylphenyl)-
CID 7202
Monodesmethylisoproturon
CID 182167
Urea, N,N-dimethyl-N'-(4-methylphenyl)-
CID 23549
Acetamide, N-(4-butylphenyl)-
CID 77227
1-Cyclohexyl-3-(P-tolyl)urea
CID 280350

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminopropan-2-yl)phenyl]formamide?
The IUPAC name of N-[4-(1-aminopropan-2-yl)phenyl]formamide (CID 178094530) is N-[4-(1-aminopropan-2-yl)phenyl]formamide.
What is the SMILES notation for N-[4-(1-aminopropan-2-yl)phenyl]formamide?
The canonical SMILES for N-[4-(1-aminopropan-2-yl)phenyl]formamide is CC(CN)c1ccc(NC=O)cc1.
What is the InChIKey of N-[4-(1-aminopropan-2-yl)phenyl]formamide?
The InChIKey is PWDPXVLPMFECRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(6-11)9-2-4-10(5-3-9)12-7-13/h2-5,7-8H,6,11H2,1H3,(H,12,13).
What are the key properties of N-[4-(1-aminopropan-2-yl)phenyl]formamide?
N-[4-(1-aminopropan-2-yl)phenyl]formamide has a molecular weight of 178.24 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminopropan-2-yl)phenyl]formamide is sourced from PubChem (CID 178094530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).