4-chloro-N-methylcyclohexa-1,3-dien-1-amine

C7H10ClN — CID 89073762

IUPAC4-chloro-N-methylcyclohexa-1,3-dien-1-amine
SMILESCNC1=CC=C(Cl)CC1
InChIInChI=1S/C7H10ClN/c1-9-7-4-2-6(8)3-5-7/h2,4,9H,3,5H2,1H3
InChIKeyPBVWHJHKTKJOES-UHFFFAOYSA-N
MW143.62 g/mol
LogP2.01
Rot. Bonds1

About 4-chloro-N-methylcyclohexa-1,3-dien-1-amine

4-chloro-N-methylcyclohexa-1,3-dien-1-amine (PubChem CID 89073762) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is 4-chloro-N-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-chloro-N-methylcyclohexa-1,3-dien-1-amine
PubChem CID89073762
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name4-chloro-N-methylcyclohexa-1,3-dien-1-amine
SMILESCNC1=CC=C(Cl)CC1
InChIInChI=1S/C7H10ClN/c1-9-7-4-2-6(8)3-5-7/h2,4,9H,3,5H2,1H3
InChIKeyPBVWHJHKTKJOES-UHFFFAOYSA-N
XLogP2.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-5-fluoro-N-methylcyclohexa-1,3-dien-1-amine
CID 134365771
3-fluoro-N-methylcyclohexa-1,3-dien-1-amine
CID 143631170
4-fluoro-N-methylcyclohexa-1,3-dien-1-amine
CID 143967026
5-chloro-6-fluoro-N-methylcyclohexa-1,5-dien-1-amine
CID 149256678
6-chloro-4-fluoro-N-methylcyclohexa-1,3-dien-1-amine
CID 156544247
4-chloro-2-fluoro-N-methylcyclohexa-1,3-dien-1-amine
CID 170736836
N-methylcyclohexa-1,3-dien-1-amine
CID 19382575
1-N-methylcyclohexa-1,3-diene-1,2,4-triamine
CID 68267179
(4E)-4-chloro-N-methylhexa-1,4-dien-2-amine
CID 139418219
3,5-dichloro-N,5-dimethylcyclohexa-1,3-dien-1-amine
CID 139438559
(2S)-2-chloro-6-methyl-1,2,3,4-tetrahydropyridine
CID 141985227
4-chloro-N-methylcyclohexa-1,5-dien-1-amine
CID 143766590

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-chloro-N-methylcyclohexa-1,3-dien-1-amine (CID 89073762) is 4-chloro-N-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-chloro-N-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-chloro-N-methylcyclohexa-1,3-dien-1-amine is CNC1=CC=C(Cl)CC1.
What is the InChIKey of 4-chloro-N-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is PBVWHJHKTKJOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN/c1-9-7-4-2-6(8)3-5-7/h2,4,9H,3,5H2,1H3.
What are the key properties of 4-chloro-N-methylcyclohexa-1,3-dien-1-amine?
4-chloro-N-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 143.62 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 89073762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).