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

C18H21ClN2 — CID 63451260

IUPAC2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-diamine
SMILESCN(C)c1ccc(NC2CCCc3ccccc32)cc1Cl
InChIInChI=1S/C18H21ClN2/c1-21(2)18-11-10-14(12-16(18)19)20-17-9-5-7-13-6-3-4-8-15(13)17/h3-4,6,8,10-12,17,20H,5,7,9H2,1-2H3
InChIKeyQFPONLCQBKRZGH-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.90
Rot. Bonds3

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

2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-diamine (PubChem CID 63451260) 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-1-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-diamine
PubChem CID63451260
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-1-yl)benzene-1,4-diamine
SMILESCN(C)c1ccc(NC2CCCc3ccccc32)cc1Cl
InChIInChI=1S/C18H21ClN2/c1-21(2)18-11-10-14(12-16(18)19)20-17-9-5-7-13-6-3-4-8-15(13)17/h3-4,6,8,10-12,17,20H,5,7,9H2,1-2H3
InChIKeyQFPONLCQBKRZGH-UHFFFAOYSA-N
XLogP4.90
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 ≤ 54.90
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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Related Compounds

N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43119146
3-N,3-N-dimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,3-diamine
CID 115375952
4-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63451436
4-bromo-1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diamine
CID 43746242
2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,4-diamine
CID 63450820
N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65470081
N-(2,2-dimethyl-1,3-dihydroinden-5-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 146303538
N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43105442
N-(3-iodo-4-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43716262
4-N,4-N-dimethyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3,4-diamine
CID 43678601
2-chloro-4-N-(2,6-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63451177
N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79054379

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-diamine (CID 63451260) is 2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-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-1-yl)benzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-diamine is CN(C)c1ccc(NC2CCCc3ccccc32)cc1Cl.
What is the InChIKey of 2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-diamine?
The InChIKey is QFPONLCQBKRZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-21(2)18-11-10-14(12-16(18)19)20-17-9-5-7-13-6-3-4-8-15(13)17/h3-4,6,8,10-12,17,20H,5,7,9H2,1-2H3.
What are the key properties of 2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-diamine?
2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-diamine has a molecular weight of 300.83 g/mol, XLogP of 4.90, 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-1-yl)benzene-1,4-diamine is sourced from PubChem (CID 63451260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).