1-N,1-N,4-N-trimethyl-4-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,4-diamine

C19H24N2 — CID 144987164

IUPAC1-N,1-N,4-N-trimethyl-4-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,4-diamine
SMILESCN(C)c1ccc(N(C)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C19H24N2/c1-20(2)17-10-12-18(13-11-17)21(3)19-9-8-15-6-4-5-7-16(15)14-19/h8-14H,4-7H2,1-3H3
InChIKeyBVTFHWGYFULOOC-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.40
Rot. Bonds3

About 1-N,1-N,4-N-trimethyl-4-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,4-diamine

1-N,1-N,4-N-trimethyl-4-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,4-diamine (PubChem CID 144987164) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-N,1-N,4-N-trimethyl-4-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,4-N-trimethyl-4-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,4-diamine
PubChem CID144987164
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name1-N,1-N,4-N-trimethyl-4-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,4-diamine
SMILESCN(C)c1ccc(N(C)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C19H24N2/c1-20(2)17-10-12-18(13-11-17)21(3)19-9-8-15-6-4-5-7-16(15)14-19/h8-14H,4-7H2,1-3H3
InChIKeyBVTFHWGYFULOOC-UHFFFAOYSA-N
XLogP4.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.40
H-Bond Donors ≤ 50
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-[4-(cyclopropylmethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 155314010
N-(4-ethoxyphenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 144987112
N-[4-(cyclopropylmethoxy)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 144986914
N-(methoxymethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115258314
N-[3-(aminomethyl)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 117041504
ethane;3-(methylamino)pyridine-4-carboxylic acid;1-N,1-N,4-N-trimethyl-4-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,4-diamine
CID 144987163
N-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 115258329
2-N-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
CID 115124335
N-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 10536160
N-(3-ethoxyphenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 144987034
N-(3-chloropropyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115215476
N-(2,3-dihydro-1H-inden-5-yl)-N-methylazetidin-3-amine
CID 117040535

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N-trimethyl-4-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,4-diamine?
The IUPAC name of 1-N,1-N,4-N-trimethyl-4-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,4-diamine (CID 144987164) is 1-N,1-N,4-N-trimethyl-4-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N,4-N-trimethyl-4-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N,1-N,4-N-trimethyl-4-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,4-diamine is CN(C)c1ccc(N(C)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of 1-N,1-N,4-N-trimethyl-4-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,4-diamine?
The InChIKey is BVTFHWGYFULOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-20(2)17-10-12-18(13-11-17)21(3)19-9-8-15-6-4-5-7-16(15)14-19/h8-14H,4-7H2,1-3H3.
What are the key properties of 1-N,1-N,4-N-trimethyl-4-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,4-diamine?
1-N,1-N,4-N-trimethyl-4-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,4-diamine has a molecular weight of 280.42 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N-trimethyl-4-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 144987164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).