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

C17H22N2O — CID 63794199

IUPACN-[4-(2-aminopropyl)phenyl]-2-methoxy-N-methylaniline
SMILESCOc1ccccc1N(C)c1ccc(CC(C)N)cc1
InChIInChI=1S/C17H22N2O/c1-13(18)12-14-8-10-15(11-9-14)19(2)16-6-4-5-7-17(16)20-3/h4-11,13H,12,18H2,1-3H3
InChIKeyRLFKPWSVBNAXFM-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.35
Rot. Bonds5

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

N-[4-(2-aminopropyl)phenyl]-2-methoxy-N-methylaniline (PubChem CID 63794199) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[4-(2-aminopropyl)phenyl]-2-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[4-(2-aminopropyl)phenyl]-2-methoxy-N-methylaniline
PubChem CID63794199
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[4-(2-aminopropyl)phenyl]-2-methoxy-N-methylaniline
SMILESCOc1ccccc1N(C)c1ccc(CC(C)N)cc1
InChIInChI=1S/C17H22N2O/c1-13(18)12-14-8-10-15(11-9-14)19(2)16-6-4-5-7-17(16)20-3/h4-11,13H,12,18H2,1-3H3
InChIKeyRLFKPWSVBNAXFM-UHFFFAOYSA-N
XLogP3.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminopropyl)-N-[4-(2-aminopropyl)phenyl]-N-phenylaniline
CID 170864530
1-methoxy-2-N-(2-methoxyphenyl)-2-N-methyl-3-phenylpropane-1,2-diamine
CID 67831126
2-(2-aminopropyl)-3-chloro-N-(4-methoxyphenyl)-N-methylaniline
CID 63815282
N-[4-(2-aminopropyl)phenyl]-3-fluoro-N-methylaniline
CID 63817401
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63803801
N-[4-(2-aminopropyl)phenyl]-N-ethyl-2-methylaniline
CID 63785925
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
1-(3-methoxy-2-propan-2-ylphenyl)propan-2-amine
CID 117296824
N-(2-methoxyphenyl)-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine
CID 83122607
4-(aminomethyl)-3-bromo-N-(2-methoxyphenyl)-N-methylaniline
CID 107274857
1-[3-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63943521

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminopropyl)phenyl]-2-methoxy-N-methylaniline?
The IUPAC name of N-[4-(2-aminopropyl)phenyl]-2-methoxy-N-methylaniline (CID 63794199) is N-[4-(2-aminopropyl)phenyl]-2-methoxy-N-methylaniline.
What is the SMILES notation for N-[4-(2-aminopropyl)phenyl]-2-methoxy-N-methylaniline?
The canonical SMILES for N-[4-(2-aminopropyl)phenyl]-2-methoxy-N-methylaniline is COc1ccccc1N(C)c1ccc(CC(C)N)cc1.
What is the InChIKey of N-[4-(2-aminopropyl)phenyl]-2-methoxy-N-methylaniline?
The InChIKey is RLFKPWSVBNAXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13(18)12-14-8-10-15(11-9-14)19(2)16-6-4-5-7-17(16)20-3/h4-11,13H,12,18H2,1-3H3.
What are the key properties of N-[4-(2-aminopropyl)phenyl]-2-methoxy-N-methylaniline?
N-[4-(2-aminopropyl)phenyl]-2-methoxy-N-methylaniline has a molecular weight of 270.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminopropyl)phenyl]-2-methoxy-N-methylaniline is sourced from PubChem (CID 63794199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).