N-ethyl-3-methoxy-N-[[6-[2-[methyl(pentyl)amino]ethoxy]-3-pyridinyl]methyl]aniline

C23H35N3O2 — CID 142914977

IUPACN-ethyl-3-methoxy-N-[[6-[2-[methyl(pentyl)amino]ethoxy]-3-pyridinyl]methyl]aniline
SMILESCCCCCN(C)CCOc1ccc(CN(CC)c2cccc(OC)c2)cn1
InChIInChI=1S/C23H35N3O2/c1-5-7-8-14-25(3)15-16-28-23-13-12-20(18-24-23)19-26(6-2)21-10-9-11-22(17-21)27-4/h9-13,17-18H,5-8,14-16,19H2,1-4H3
InChIKeyQQVBVLOCJFQQSX-UHFFFAOYSA-N
MW385.55 g/mol
LogP4.62
Rot. Bonds13

About N-ethyl-3-methoxy-N-[[6-[2-[methyl(pentyl)amino]ethoxy]-3-pyridinyl]methyl]aniline

N-ethyl-3-methoxy-N-[[6-[2-[methyl(pentyl)amino]ethoxy]-3-pyridinyl]methyl]aniline (PubChem CID 142914977) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-ethyl-3-methoxy-N-[[6-[2-[methyl(pentyl)amino]ethoxy]-3-pyridinyl]methyl]aniline.

Molecular Properties

Compound NameN-ethyl-3-methoxy-N-[[6-[2-[methyl(pentyl)amino]ethoxy]-3-pyridinyl]methyl]aniline
PubChem CID142914977
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-ethyl-3-methoxy-N-[[6-[2-[methyl(pentyl)amino]ethoxy]-3-pyridinyl]methyl]aniline
SMILESCCCCCN(C)CCOc1ccc(CN(CC)c2cccc(OC)c2)cn1
InChIInChI=1S/C23H35N3O2/c1-5-7-8-14-25(3)15-16-28-23-13-12-20(18-24-23)19-26(6-2)21-10-9-11-22(17-21)27-4/h9-13,17-18H,5-8,14-16,19H2,1-4H3
InChIKeyQQVBVLOCJFQQSX-UHFFFAOYSA-N
XLogP4.62
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
CID 142915240
N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 138518668
N-[[3-fluoro-4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]-3-methoxy-N-methylaniline
CID 142915200
2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde
CID 155065101
N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline
CID 142915130
acetylene;N-ethyl-N-[[4-[2-[ethyl(methyl)amino]ethoxy]-3-fluorophenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol
CID 142915002
N-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methoxyaniline
CID 59708993
N-ethyl-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
CID 142915009
3-[2-(dimethylamino)ethoxy]-N,N-diethylaniline
CID 141318125
N-[[4-[2-(azetidin-1-yl)ethoxy]-3-fluorophenyl]methyl]-N-ethyl-3-methoxyaniline
CID 142915056
N-ethyl-3-methoxy-N-[[4-[2-methyl-1-(methylamino)propan-2-yl]phenyl]methyl]aniline
CID 142915296
N-[2-(2,5-dichlorophenoxy)ethyl]-N-ethyl-3-methoxyaniline
CID 54550055

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-N-[[6-[2-[methyl(pentyl)amino]ethoxy]-3-pyridinyl]methyl]aniline?
The IUPAC name of N-ethyl-3-methoxy-N-[[6-[2-[methyl(pentyl)amino]ethoxy]-3-pyridinyl]methyl]aniline (CID 142914977) is N-ethyl-3-methoxy-N-[[6-[2-[methyl(pentyl)amino]ethoxy]-3-pyridinyl]methyl]aniline.
What is the SMILES notation for N-ethyl-3-methoxy-N-[[6-[2-[methyl(pentyl)amino]ethoxy]-3-pyridinyl]methyl]aniline?
The canonical SMILES for N-ethyl-3-methoxy-N-[[6-[2-[methyl(pentyl)amino]ethoxy]-3-pyridinyl]methyl]aniline is CCCCCN(C)CCOc1ccc(CN(CC)c2cccc(OC)c2)cn1.
What is the InChIKey of N-ethyl-3-methoxy-N-[[6-[2-[methyl(pentyl)amino]ethoxy]-3-pyridinyl]methyl]aniline?
The InChIKey is QQVBVLOCJFQQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-5-7-8-14-25(3)15-16-28-23-13-12-20(18-24-23)19-26(6-2)21-10-9-11-22(17-21)27-4/h9-13,17-18H,5-8,14-16,19H2,1-4H3.
What are the key properties of N-ethyl-3-methoxy-N-[[6-[2-[methyl(pentyl)amino]ethoxy]-3-pyridinyl]methyl]aniline?
N-ethyl-3-methoxy-N-[[6-[2-[methyl(pentyl)amino]ethoxy]-3-pyridinyl]methyl]aniline has a molecular weight of 385.55 g/mol, XLogP of 4.62, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-N-[[6-[2-[methyl(pentyl)amino]ethoxy]-3-pyridinyl]methyl]aniline is sourced from PubChem (CID 142914977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).