N-[4-(2-aminopropyl)phenyl]-N-ethyl-2-methylaniline

C18H24N2 — CID 63785925

IUPACN-[4-(2-aminopropyl)phenyl]-N-ethyl-2-methylaniline
SMILESCCN(c1ccc(CC(C)N)cc1)c1ccccc1C
InChIInChI=1S/C18H24N2/c1-4-20(18-8-6-5-7-14(18)2)17-11-9-16(10-12-17)13-15(3)19/h5-12,15H,4,13,19H2,1-3H3
InChIKeyDAMWFMDVQQKJHZ-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.04
Rot. Bonds5

About N-[4-(2-aminopropyl)phenyl]-N-ethyl-2-methylaniline

N-[4-(2-aminopropyl)phenyl]-N-ethyl-2-methylaniline (PubChem CID 63785925) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[4-(2-aminopropyl)phenyl]-N-ethyl-2-methylaniline.

Molecular Properties

Compound NameN-[4-(2-aminopropyl)phenyl]-N-ethyl-2-methylaniline
PubChem CID63785925
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-[4-(2-aminopropyl)phenyl]-N-ethyl-2-methylaniline
SMILESCCN(c1ccc(CC(C)N)cc1)c1ccccc1C
InChIInChI=1S/C18H24N2/c1-4-20(18-8-6-5-7-14(18)2)17-11-9-16(10-12-17)13-15(3)19/h5-12,15H,4,13,19H2,1-3H3
InChIKeyDAMWFMDVQQKJHZ-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 63785927
2-(2-aminopropyl)-N-ethyl-N-(4-methylphenyl)aniline
CID 63816327
2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-methylphenyl)aniline
CID 63786090
4-(2-aminopropyl)-N-[4-(2-aminopropyl)phenyl]-N-phenylaniline
CID 170864530
1-[5-(N-ethyl-2-methylanilino)-2-pyridinyl]ethanol
CID 83132708
4-(2-aminopropyl)-N-ethyl-2-fluoro-N-phenylaniline
CID 63785098
N-(4-tert-butylphenyl)-N-ethyl-2-methylaniline
CID 142467015
2-(2-aminopropyl)-5-chloro-N-ethyl-N-(2-methylphenyl)aniline
CID 114860300
ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline
CID 142266780
4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 60929448
N-[4-(2-aminopropyl)phenyl]-2-methoxy-N-methylaniline
CID 63794199
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminopropyl)phenyl]-N-ethyl-2-methylaniline?
The IUPAC name of N-[4-(2-aminopropyl)phenyl]-N-ethyl-2-methylaniline (CID 63785925) is N-[4-(2-aminopropyl)phenyl]-N-ethyl-2-methylaniline.
What is the SMILES notation for N-[4-(2-aminopropyl)phenyl]-N-ethyl-2-methylaniline?
The canonical SMILES for N-[4-(2-aminopropyl)phenyl]-N-ethyl-2-methylaniline is CCN(c1ccc(CC(C)N)cc1)c1ccccc1C.
What is the InChIKey of N-[4-(2-aminopropyl)phenyl]-N-ethyl-2-methylaniline?
The InChIKey is DAMWFMDVQQKJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-4-20(18-8-6-5-7-14(18)2)17-11-9-16(10-12-17)13-15(3)19/h5-12,15H,4,13,19H2,1-3H3.
What are the key properties of N-[4-(2-aminopropyl)phenyl]-N-ethyl-2-methylaniline?
N-[4-(2-aminopropyl)phenyl]-N-ethyl-2-methylaniline has a molecular weight of 268.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminopropyl)phenyl]-N-ethyl-2-methylaniline is sourced from PubChem (CID 63785925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).