N,N-bis(2-methoxyethyl)-4-[1-(propylamino)ethyl]aniline

C17H30N2O2 — CID 61418340

IUPACN,N-bis(2-methoxyethyl)-4-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1ccc(N(CCOC)CCOC)cc1
InChIInChI=1S/C17H30N2O2/c1-5-10-18-15(2)16-6-8-17(9-7-16)19(11-13-20-3)12-14-21-4/h6-9,15,18H,5,10-14H2,1-4H3
InChIKeyFZGFSAIGVIDEEH-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.85
Rot. Bonds11

About N,N-bis(2-methoxyethyl)-4-[1-(propylamino)ethyl]aniline

N,N-bis(2-methoxyethyl)-4-[1-(propylamino)ethyl]aniline (PubChem CID 61418340) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-4-[1-(propylamino)ethyl]aniline.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-4-[1-(propylamino)ethyl]aniline
PubChem CID61418340
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN,N-bis(2-methoxyethyl)-4-[1-(propylamino)ethyl]aniline
SMILESCCCNC(C)c1ccc(N(CCOC)CCOC)cc1
InChIInChI=1S/C17H30N2O2/c1-5-10-18-15(2)16-6-8-17(9-7-16)19(11-13-20-3)12-14-21-4/h6-9,15,18H,5,10-14H2,1-4H3
InChIKeyFZGFSAIGVIDEEH-UHFFFAOYSA-N
XLogP2.85
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[N-(cyanomethyl)-4-[1-(propylamino)ethyl]anilino]acetonitrile
CID 43284110
4-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline
CID 55189419
N-methyl-N-pentyl-4-[1-(propylamino)ethyl]aniline
CID 43295026
N-[1-(4-ethylphenyl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 55126526
N-ethyl-3-fluoro-N-(2-methoxyethyl)-2-[1-(propylamino)ethyl]aniline
CID 61446087
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 54984969
N,N-dipropyl-3-[1-(propylamino)ethyl]aniline
CID 79678790
N-(2-methoxyethyl)-N-propan-2-yl-4-[1-(propylamino)ethyl]pyridin-2-amine
CID 82951129
4-[1-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethyl]phenol
CID 55126811
(1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine
CID 26601188
N-[1-[4-(dimethylamino)phenyl]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635758
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-4-[1-(propylamino)ethyl]aniline?
The IUPAC name of N,N-bis(2-methoxyethyl)-4-[1-(propylamino)ethyl]aniline (CID 61418340) is N,N-bis(2-methoxyethyl)-4-[1-(propylamino)ethyl]aniline.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-4-[1-(propylamino)ethyl]aniline?
The canonical SMILES for N,N-bis(2-methoxyethyl)-4-[1-(propylamino)ethyl]aniline is CCCNC(C)c1ccc(N(CCOC)CCOC)cc1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-4-[1-(propylamino)ethyl]aniline?
The InChIKey is FZGFSAIGVIDEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-10-18-15(2)16-6-8-17(9-7-16)19(11-13-20-3)12-14-21-4/h6-9,15,18H,5,10-14H2,1-4H3.
What are the key properties of N,N-bis(2-methoxyethyl)-4-[1-(propylamino)ethyl]aniline?
N,N-bis(2-methoxyethyl)-4-[1-(propylamino)ethyl]aniline has a molecular weight of 294.44 g/mol, XLogP of 2.85, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-4-[1-(propylamino)ethyl]aniline is sourced from PubChem (CID 61418340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).