N,N-diethyl-3-methoxy-4-(3-morpholin-4-ylpropyl)aniline

C18H30N2O2 — CID 170869897

IUPACN,N-diethyl-3-methoxy-4-(3-morpholin-4-ylpropyl)aniline
SMILESCCN(CC)c1ccc(CCCN2CCOCC2)c(OC)c1
InChIInChI=1S/C18H30N2O2/c1-4-20(5-2)17-9-8-16(18(15-17)21-3)7-6-10-19-11-13-22-14-12-19/h8-9,15H,4-7,10-14H2,1-3H3
InChIKeyAPBOYRRLQWFYCX-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.81
Rot. Bonds8

About N,N-diethyl-3-methoxy-4-(3-morpholin-4-ylpropyl)aniline

N,N-diethyl-3-methoxy-4-(3-morpholin-4-ylpropyl)aniline (PubChem CID 170869897) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N,N-diethyl-3-methoxy-4-(3-morpholin-4-ylpropyl)aniline.

Molecular Properties

Compound NameN,N-diethyl-3-methoxy-4-(3-morpholin-4-ylpropyl)aniline
PubChem CID170869897
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN,N-diethyl-3-methoxy-4-(3-morpholin-4-ylpropyl)aniline
SMILESCCN(CC)c1ccc(CCCN2CCOCC2)c(OC)c1
InChIInChI=1S/C18H30N2O2/c1-4-20(5-2)17-9-8-16(18(15-17)21-3)7-6-10-19-11-13-22-14-12-19/h8-9,15H,4-7,10-14H2,1-3H3
InChIKeyAPBOYRRLQWFYCX-UHFFFAOYSA-N
XLogP2.81
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-methoxy-4-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 170863148
N,N-diethyl-3-methyl-4-(3-morpholin-4-ylpropyl)aniline
CID 170870635
3-ethoxy-N,N-diethyl-4-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 170863629
4-[3-(dimethylamino)propyl]-N,N-diethyl-3-methoxyaniline
CID 170865901
4-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]morpholine
CID 170869682
4-[3-(5-butan-2-yl-2-methoxyphenyl)propyl]morpholine
CID 170870505
1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine
CID 170870625
4-[3-(2-ethoxy-4-morpholin-4-ylphenyl)propyl]morpholine
CID 170870634
4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
3-fluoro-4-(3-morpholin-4-ylpropyl)phenol
CID 170869738
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methoxy-4-(3-morpholin-4-ylpropyl)aniline?
The IUPAC name of N,N-diethyl-3-methoxy-4-(3-morpholin-4-ylpropyl)aniline (CID 170869897) is N,N-diethyl-3-methoxy-4-(3-morpholin-4-ylpropyl)aniline.
What is the SMILES notation for N,N-diethyl-3-methoxy-4-(3-morpholin-4-ylpropyl)aniline?
The canonical SMILES for N,N-diethyl-3-methoxy-4-(3-morpholin-4-ylpropyl)aniline is CCN(CC)c1ccc(CCCN2CCOCC2)c(OC)c1.
What is the InChIKey of N,N-diethyl-3-methoxy-4-(3-morpholin-4-ylpropyl)aniline?
The InChIKey is APBOYRRLQWFYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-4-20(5-2)17-9-8-16(18(15-17)21-3)7-6-10-19-11-13-22-14-12-19/h8-9,15H,4-7,10-14H2,1-3H3.
What are the key properties of N,N-diethyl-3-methoxy-4-(3-morpholin-4-ylpropyl)aniline?
N,N-diethyl-3-methoxy-4-(3-morpholin-4-ylpropyl)aniline has a molecular weight of 306.45 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methoxy-4-(3-morpholin-4-ylpropyl)aniline is sourced from PubChem (CID 170869897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).