N-benzyl-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine

C18H24N2 — CID 54806994

IUPACN-benzyl-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCC(C)c1ccccc1NCCNCc1ccccc1
InChIInChI=1S/C18H24N2/c1-15(2)17-10-6-7-11-18(17)20-13-12-19-14-16-8-4-3-5-9-16/h3-11,15,19-20H,12-14H2,1-2H3
InChIKeyIQCSMVZSNQFWGF-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.01
Rot. Bonds7

About N-benzyl-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine

N-benzyl-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine (PubChem CID 54806994) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-benzyl-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-benzyl-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine
PubChem CID54806994
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-benzyl-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCC(C)c1ccccc1NCCNCc1ccccc1
InChIInChI=1S/C18H24N2/c1-15(2)17-10-6-7-11-18(17)20-13-12-19-14-16-8-4-3-5-9-16/h3-11,15,19-20H,12-14H2,1-2H3
InChIKeyIQCSMVZSNQFWGF-UHFFFAOYSA-N
XLogP4.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride
CID 158304754
N'-(2-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 54808025
3-(benzylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109018986
2-(2-propan-2-ylanilino)ethanol
CID 28574084
N-(2-chloroethyl)-2-propan-2-ylaniline
CID 82112244
N-[(4-fluorophenyl)methyl]-2-propan-2-ylaniline
CID 28542068
N-pentyl-2-propan-2-ylaniline
CID 29268175
N-(4-chlorophenyl)-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine
CID 54805498
N-(2-phenoxyethyl)-2-propan-2-ylaniline
CID 39357817
4-(2-propan-2-ylanilino)butan-1-ol
CID 54803429
N-(3-chloro-2-methylphenyl)-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine
CID 54807478
N-(1-phenylpropan-2-yl)-2-propan-2-ylaniline
CID 55200343

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N-benzyl-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine (CID 54806994) is N-benzyl-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-benzyl-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-benzyl-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine is CC(C)c1ccccc1NCCNCc1ccccc1.
What is the InChIKey of N-benzyl-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine?
The InChIKey is IQCSMVZSNQFWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-15(2)17-10-6-7-11-18(17)20-13-12-19-14-16-8-4-3-5-9-16/h3-11,15,19-20H,12-14H2,1-2H3.
What are the key properties of N-benzyl-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine?
N-benzyl-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54806994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).