2-chloro-N,4-dimethylaniline;formaldehyde

C9H12ClNO — CID 177231502

IUPAC2-chloro-N,4-dimethylaniline;formaldehyde
SMILESC=O.CNc1ccc(C)cc1Cl
InChIInChI=1S/C8H10ClN.CH2O/c1-6-3-4-8(10-2)7(9)5-6;1-2/h3-5,10H,1-2H3;1H2
InChIKeyKPQDSAYQHVALKC-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.51
Rot. Bonds1

About 2-chloro-N,4-dimethylaniline;formaldehyde

2-chloro-N,4-dimethylaniline;formaldehyde (PubChem CID 177231502) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2-chloro-N,4-dimethylaniline;formaldehyde.

Molecular Properties

Compound Name2-chloro-N,4-dimethylaniline;formaldehyde
PubChem CID177231502
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2-chloro-N,4-dimethylaniline;formaldehyde
SMILESC=O.CNc1ccc(C)cc1Cl
InChIInChI=1S/C8H10ClN.CH2O/c1-6-3-4-8(10-2)7(9)5-6;1-2/h3-5,10H,1-2H3;1H2
InChIKeyKPQDSAYQHVALKC-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,4-dimethylaniline;formaldehyde?
The IUPAC name of 2-chloro-N,4-dimethylaniline;formaldehyde (CID 177231502) is 2-chloro-N,4-dimethylaniline;formaldehyde.
What is the SMILES notation for 2-chloro-N,4-dimethylaniline;formaldehyde?
The canonical SMILES for 2-chloro-N,4-dimethylaniline;formaldehyde is C=O.CNc1ccc(C)cc1Cl.
What is the InChIKey of 2-chloro-N,4-dimethylaniline;formaldehyde?
The InChIKey is KPQDSAYQHVALKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN.CH2O/c1-6-3-4-8(10-2)7(9)5-6;1-2/h3-5,10H,1-2H3;1H2.
What are the key properties of 2-chloro-N,4-dimethylaniline;formaldehyde?
2-chloro-N,4-dimethylaniline;formaldehyde has a molecular weight of 185.65 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,4-dimethylaniline;formaldehyde is sourced from PubChem (CID 177231502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).