3-N-[(3-chlorophenyl)methyl]-1,4-dimethylidenenaphthalene-2,3-diamine

C19H17ClN2 — CID 155327556

IUPAC3-N-[(3-chlorophenyl)methyl]-1,4-dimethylidenenaphthalene-2,3-diamine
SMILESC=c1c(N)c(NCc2cccc(Cl)c2)c(=C)c2ccccc12
InChIInChI=1S/C19H17ClN2/c1-12-16-8-3-4-9-17(16)13(2)19(18(12)21)22-11-14-6-5-7-15(20)10-14/h3-10,22H,1-2,11,21H2
InChIKeyXAMPGXMMDWUWLW-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.51
Rot. Bonds3

About 3-N-[(3-chlorophenyl)methyl]-1,4-dimethylidenenaphthalene-2,3-diamine

3-N-[(3-chlorophenyl)methyl]-1,4-dimethylidenenaphthalene-2,3-diamine (PubChem CID 155327556) has the molecular formula C19H17ClN2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 3-N-[(3-chlorophenyl)methyl]-1,4-dimethylidenenaphthalene-2,3-diamine.

Molecular Properties

Compound Name3-N-[(3-chlorophenyl)methyl]-1,4-dimethylidenenaphthalene-2,3-diamine
PubChem CID155327556
Molecular FormulaC19H17ClN2
Molecular Weight308.81 g/mol
Exact Mass308.11
IUPAC Name3-N-[(3-chlorophenyl)methyl]-1,4-dimethylidenenaphthalene-2,3-diamine
SMILESC=c1c(N)c(NCc2cccc(Cl)c2)c(=C)c2ccccc12
InChIInChI=1S/C19H17ClN2/c1-12-16-8-3-4-9-17(16)13(2)19(18(12)21)22-11-14-6-5-7-15(20)10-14/h3-10,22H,1-2,11,21H2
InChIKeyXAMPGXMMDWUWLW-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-N-[(3-chlorophenyl)methyl]benzene-1,2-diamine
CID 113458621
2-N-[(3-chlorophenyl)methyl]-3,4-difluorobenzene-1,2-diamine
CID 62533701
2,6-dichloro-N-[(3-chlorophenyl)methyl]-4-fluoroaniline
CID 83077123
N-[(3-chlorophenyl)methyl]-2,6-diethylaniline
CID 4712071
N-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine
CID 80903388
2-N-[(3-chlorophenyl)methyl]pyridine-2,5-diamine
CID 62538240
5-amino-3-chloro-2-[(3-chlorophenyl)methylamino]benzamide
CID 107195667
N-[(3-chlorophenyl)methyl]-1,2-benzothiazol-3-amine
CID 156786534
N-[(3-chlorophenyl)methyl]quinolin-4-amine
CID 62538449
3-[(3-chlorophenyl)methylamino]-4-ethoxycyclobut-3-ene-1,2-dione
CID 154854288
2-N-[(3-chlorophenyl)methyl]-4-fluorobenzene-1,2-diamine
CID 55086539
5-N-[(3-chlorophenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103361005

Frequently Asked Questions

What is the IUPAC name of 3-N-[(3-chlorophenyl)methyl]-1,4-dimethylidenenaphthalene-2,3-diamine?
The IUPAC name of 3-N-[(3-chlorophenyl)methyl]-1,4-dimethylidenenaphthalene-2,3-diamine (CID 155327556) is 3-N-[(3-chlorophenyl)methyl]-1,4-dimethylidenenaphthalene-2,3-diamine.
What is the SMILES notation for 3-N-[(3-chlorophenyl)methyl]-1,4-dimethylidenenaphthalene-2,3-diamine?
The canonical SMILES for 3-N-[(3-chlorophenyl)methyl]-1,4-dimethylidenenaphthalene-2,3-diamine is C=c1c(N)c(NCc2cccc(Cl)c2)c(=C)c2ccccc12.
What is the InChIKey of 3-N-[(3-chlorophenyl)methyl]-1,4-dimethylidenenaphthalene-2,3-diamine?
The InChIKey is XAMPGXMMDWUWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2/c1-12-16-8-3-4-9-17(16)13(2)19(18(12)21)22-11-14-6-5-7-15(20)10-14/h3-10,22H,1-2,11,21H2.
What are the key properties of 3-N-[(3-chlorophenyl)methyl]-1,4-dimethylidenenaphthalene-2,3-diamine?
3-N-[(3-chlorophenyl)methyl]-1,4-dimethylidenenaphthalene-2,3-diamine has a molecular weight of 308.81 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3-chlorophenyl)methyl]-1,4-dimethylidenenaphthalene-2,3-diamine is sourced from PubChem (CID 155327556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).