4-[3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propyl]aniline

C16H28N2O2 — CID 115341949

IUPAC4-[3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propyl]aniline
SMILESCOCCN(CCCc1ccc(N)cc1)C(C)COC
InChIInChI=1S/C16H28N2O2/c1-14(13-20-3)18(11-12-19-2)10-4-5-15-6-8-16(17)9-7-15/h6-9,14H,4-5,10-13,17H2,1-3H3
InChIKeyKVBGRXUUKYZJGB-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.18
Rot. Bonds10

About 4-[3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propyl]aniline

4-[3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propyl]aniline (PubChem CID 115341949) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 4-[3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propyl]aniline.

Molecular Properties

Compound Name4-[3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propyl]aniline
PubChem CID115341949
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name4-[3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propyl]aniline
SMILESCOCCN(CCCc1ccc(N)cc1)C(C)COC
InChIInChI=1S/C16H28N2O2/c1-14(13-20-3)18(11-12-19-2)10-4-5-15-6-8-16(17)9-7-15/h6-9,14H,4-5,10-13,17H2,1-3H3
InChIKeyKVBGRXUUKYZJGB-UHFFFAOYSA-N
XLogP2.18
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[3-[butan-2-yl(2-methoxyethyl)amino]propyl]aniline
CID 115341943
4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]aniline
CID 54985228
4-[3-(diethylamino)propyl]aniline
CID 10608385
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-1-ol
CID 61067521
N-[(4-iodophenyl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 65477533
4-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]aniline
CID 115341946
4-[12-(2-methoxyethoxy)dodecyl]aniline
CID 163574819
4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline
CID 115342218
4-[3-(dimethylamino)propyl]aniline;ethane
CID 144651557
4-[2-[ethyl(propan-2-yl)amino]ethyl]aniline
CID 43265922
4-[3-[methyl(3-methylbutyl)amino]propyl]aniline
CID 115341869
2-(4-aminophenyl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide
CID 55001222

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propyl]aniline?
The IUPAC name of 4-[3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propyl]aniline (CID 115341949) is 4-[3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propyl]aniline.
What is the SMILES notation for 4-[3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propyl]aniline?
The canonical SMILES for 4-[3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propyl]aniline is COCCN(CCCc1ccc(N)cc1)C(C)COC.
What is the InChIKey of 4-[3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propyl]aniline?
The InChIKey is KVBGRXUUKYZJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-14(13-20-3)18(11-12-19-2)10-4-5-15-6-8-16(17)9-7-15/h6-9,14H,4-5,10-13,17H2,1-3H3.
What are the key properties of 4-[3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propyl]aniline?
4-[3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propyl]aniline has a molecular weight of 280.41 g/mol, XLogP of 2.18, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propyl]aniline is sourced from PubChem (CID 115341949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).