4-chloro-N-methylaniline;propanal

C10H14ClNO — CID 142927020

IUPAC4-chloro-N-methylaniline;propanal
SMILESCCC=O.CNc1ccc(Cl)cc1
InChIInChI=1S/C7H8ClN.C3H6O/c1-9-7-4-2-6(8)3-5-7;1-2-3-4/h2-5,9H,1H3;3H,2H2,1H3
InChIKeyRHJZPCVREYWNBG-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.98
Rot. Bonds2

About 4-chloro-N-methylaniline;propanal

4-chloro-N-methylaniline;propanal (PubChem CID 142927020) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 4-chloro-N-methylaniline;propanal.

Molecular Properties

Compound Name4-chloro-N-methylaniline;propanal
PubChem CID142927020
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name4-chloro-N-methylaniline;propanal
SMILESCCC=O.CNc1ccc(Cl)cc1
InChIInChI=1S/C7H8ClN.C3H6O/c1-9-7-4-2-6(8)3-5-7;1-2-3-4/h2-5,9H,1H3;3H,2H2,1H3
InChIKeyRHJZPCVREYWNBG-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-N-methylaniline;hydrochloride
CID 137319755
4-(4-chlorophenyl)sulfinyl-N-methylaniline
CID 53343997
5-(methylamino)isoindole-1,3-dione;propanal
CID 143040971
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
4-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
CID 115212691
ethane;4-(methylamino)benzaldehyde
CID 90757327
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide
CID 61380567
1,4-dichlorobenzene;formyl chloride
CID 174264230
N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
CID 15735
3-(4-chlorophenyl)propanal;ethane
CID 142069464
ethyl 2-(4-chloroanilino)-3-oxopropanoate
CID 87962411
4-N-(4-chloro-2-methylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine
CID 117029080

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methylaniline;propanal?
The IUPAC name of 4-chloro-N-methylaniline;propanal (CID 142927020) is 4-chloro-N-methylaniline;propanal.
What is the SMILES notation for 4-chloro-N-methylaniline;propanal?
The canonical SMILES for 4-chloro-N-methylaniline;propanal is CCC=O.CNc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-methylaniline;propanal?
The InChIKey is RHJZPCVREYWNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN.C3H6O/c1-9-7-4-2-6(8)3-5-7;1-2-3-4/h2-5,9H,1H3;3H,2H2,1H3.
What are the key properties of 4-chloro-N-methylaniline;propanal?
4-chloro-N-methylaniline;propanal has a molecular weight of 199.68 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methylaniline;propanal is sourced from PubChem (CID 142927020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).