2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,4-diamine

C18H21ClN2 — CID 63450820

IUPAC2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,4-diamine
SMILESCN(C)c1ccc(NC2CCc3ccccc3C2)cc1Cl
InChIInChI=1S/C18H21ClN2/c1-21(2)18-10-9-16(12-17(18)19)20-15-8-7-13-5-3-4-6-14(13)11-15/h3-6,9-10,12,15,20H,7-8,11H2,1-2H3
InChIKeyLDIPVSGQLPNHDH-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.38
Rot. Bonds3

About 2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,4-diamine

2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,4-diamine (PubChem CID 63450820) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,4-diamine
PubChem CID63450820
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,4-diamine
SMILESCN(C)c1ccc(NC2CCc3ccccc3C2)cc1Cl
InChIInChI=1S/C18H21ClN2/c1-21(2)18-10-9-16(12-17(18)19)20-15-8-7-13-5-3-4-6-14(13)11-15/h3-6,9-10,12,15,20H,7-8,11H2,1-2H3
InChIKeyLDIPVSGQLPNHDH-UHFFFAOYSA-N
XLogP4.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,4-diamine (CID 63450820) is 2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,4-diamine is CN(C)c1ccc(NC2CCc3ccccc3C2)cc1Cl.
What is the InChIKey of 2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,4-diamine?
The InChIKey is LDIPVSGQLPNHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-21(2)18-10-9-16(12-17(18)19)20-15-8-7-13-5-3-4-6-14(13)11-15/h3-6,9-10,12,15,20H,7-8,11H2,1-2H3.
What are the key properties of 2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,4-diamine?
2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,4-diamine has a molecular weight of 300.83 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 63450820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).