ethane;3-methoxy-N-[2-(2-methoxyethoxy)ethyl]aniline;propan-1-amine

C19H40N2O3 — CID 156823958

IUPACethane;3-methoxy-N-[2-(2-methoxyethoxy)ethyl]aniline;propan-1-amine
SMILESCC.CC.CCCN.COCCOCCNc1cccc(OC)c1
InChIInChI=1S/C12H19NO3.C3H9N.2C2H6/c1-14-8-9-16-7-6-13-11-4-3-5-12(10-11)15-2;1-2-3-4;2*1-2/h3-5,10,13H,6-9H2,1-2H3;2-4H2,1H3;2*1-2H3
InChIKeyGKUHMFIBNLOWDW-UHFFFAOYSA-N
MW344.54 g/mol
LogP4.18
Rot. Bonds9

About ethane;3-methoxy-N-[2-(2-methoxyethoxy)ethyl]aniline;propan-1-amine

ethane;3-methoxy-N-[2-(2-methoxyethoxy)ethyl]aniline;propan-1-amine (PubChem CID 156823958) has the molecular formula C19H40N2O3 and a molecular weight of 344.54 g/mol. Its IUPAC name is ethane;3-methoxy-N-[2-(2-methoxyethoxy)ethyl]aniline;propan-1-amine.

Molecular Properties

Compound Nameethane;3-methoxy-N-[2-(2-methoxyethoxy)ethyl]aniline;propan-1-amine
PubChem CID156823958
Molecular FormulaC19H40N2O3
Molecular Weight344.54 g/mol
Exact Mass344.30
IUPAC Nameethane;3-methoxy-N-[2-(2-methoxyethoxy)ethyl]aniline;propan-1-amine
SMILESCC.CC.CCCN.COCCOCCNc1cccc(OC)c1
InChIInChI=1S/C12H19NO3.C3H9N.2C2H6/c1-14-8-9-16-7-6-13-11-4-3-5-12(10-11)15-2;1-2-3-4;2*1-2/h3-5,10,13H,6-9H2,1-2H3;2-4H2,1H3;2*1-2H3
InChIKeyGKUHMFIBNLOWDW-UHFFFAOYSA-N
XLogP4.18
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409360
3-[2-(2-methoxyethoxy)ethylamino]phenol
CID 3022408
3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561477
N-hexyl-3-methoxyaniline
CID 15500485
3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54803079
N-[3-(2-methoxyethoxy)propyl]-3-(trifluoromethoxy)aniline
CID 103409365
ethane;N-ethyl-3-methoxyaniline
CID 142222302
N-hexyl-3-(2-methoxyethoxy)aniline
CID 54803081
3-(chloromethyl)-N-[2-(2-methoxyethoxy)ethyl]aniline
CID 65023623
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
1-(3-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989238
3-(3-methoxyanilino)propanamide
CID 43131962

Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-N-[2-(2-methoxyethoxy)ethyl]aniline;propan-1-amine?
The IUPAC name of ethane;3-methoxy-N-[2-(2-methoxyethoxy)ethyl]aniline;propan-1-amine (CID 156823958) is ethane;3-methoxy-N-[2-(2-methoxyethoxy)ethyl]aniline;propan-1-amine.
What is the SMILES notation for ethane;3-methoxy-N-[2-(2-methoxyethoxy)ethyl]aniline;propan-1-amine?
The canonical SMILES for ethane;3-methoxy-N-[2-(2-methoxyethoxy)ethyl]aniline;propan-1-amine is CC.CC.CCCN.COCCOCCNc1cccc(OC)c1.
What is the InChIKey of ethane;3-methoxy-N-[2-(2-methoxyethoxy)ethyl]aniline;propan-1-amine?
The InChIKey is GKUHMFIBNLOWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3.C3H9N.2C2H6/c1-14-8-9-16-7-6-13-11-4-3-5-12(10-11)15-2;1-2-3-4;2*1-2/h3-5,10,13H,6-9H2,1-2H3;2-4H2,1H3;2*1-2H3.
What are the key properties of ethane;3-methoxy-N-[2-(2-methoxyethoxy)ethyl]aniline;propan-1-amine?
ethane;3-methoxy-N-[2-(2-methoxyethoxy)ethyl]aniline;propan-1-amine has a molecular weight of 344.54 g/mol, XLogP of 4.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-N-[2-(2-methoxyethoxy)ethyl]aniline;propan-1-amine is sourced from PubChem (CID 156823958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).