N-(2-methoxypropyl)-4-methylaniline

C11H17NO — CID 102551518

IUPACN-(2-methoxypropyl)-4-methylaniline
SMILESCOC(C)CNc1ccc(C)cc1
InChIInChI=1S/C11H17NO/c1-9-4-6-11(7-5-9)12-8-10(2)13-3/h4-7,10,12H,8H2,1-3H3
InChIKeyKQCQFCWTACXPML-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.44
Rot. Bonds4

About N-(2-methoxypropyl)-4-methylaniline

N-(2-methoxypropyl)-4-methylaniline (PubChem CID 102551518) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-(2-methoxypropyl)-4-methylaniline.

Molecular Properties

Compound NameN-(2-methoxypropyl)-4-methylaniline
PubChem CID102551518
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-(2-methoxypropyl)-4-methylaniline
SMILESCOC(C)CNc1ccc(C)cc1
InChIInChI=1S/C11H17NO/c1-9-4-6-11(7-5-9)12-8-10(2)13-3/h4-7,10,12H,8H2,1-3H3
InChIKeyKQCQFCWTACXPML-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(2-methoxypropyl)aniline
CID 102694583
4-N-(2-methoxypropyl)-2-methylbenzene-1,4-diamine
CID 102694501
3-iodo-N-(2-methoxypropyl)-4-methylaniline
CID 126975577
(2S)-1-(4-methylanilino)propan-2-ol
CID 39236030
N-ethyl-4-(2-methoxypropylamino)benzenesulfonamide
CID 102699032
N-[2-(2-chlorophenoxy)propyl]-4-methylaniline
CID 54797024
N-[2-(4-methylphenoxy)propyl]-4-propoxyaniline
CID 54799010
1-N-(2-methoxypropyl)-4-methylbenzene-1,2-diamine
CID 102694434
(2R)-1-methoxy-3-(4-methylanilino)propan-2-ol
CID 1078645
3,4-dimethyl-N-[2-(4-methylphenoxy)propyl]aniline
CID 46736318
4-(2-methoxypropylamino)benzene-1,2-dicarbonitrile
CID 107789366
4-hexoxy-N-[2-(4-methylphenoxy)propyl]aniline
CID 54798872

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-4-methylaniline?
The IUPAC name of N-(2-methoxypropyl)-4-methylaniline (CID 102551518) is N-(2-methoxypropyl)-4-methylaniline.
What is the SMILES notation for N-(2-methoxypropyl)-4-methylaniline?
The canonical SMILES for N-(2-methoxypropyl)-4-methylaniline is COC(C)CNc1ccc(C)cc1.
What is the InChIKey of N-(2-methoxypropyl)-4-methylaniline?
The InChIKey is KQCQFCWTACXPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-4-6-11(7-5-9)12-8-10(2)13-3/h4-7,10,12H,8H2,1-3H3.
What are the key properties of N-(2-methoxypropyl)-4-methylaniline?
N-(2-methoxypropyl)-4-methylaniline has a molecular weight of 179.26 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-4-methylaniline is sourced from PubChem (CID 102551518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).