4-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline

C14H24N2O2 — CID 55189419

IUPAC4-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline
SMILESCOCCN(CCOC)c1ccc([C@@H](C)N)cc1
InChIInChI=1S/C14H24N2O2/c1-12(15)13-4-6-14(7-5-13)16(8-10-17-2)9-11-18-3/h4-7,12H,8-11,15H2,1-3H3/t12-/m1/s1
InChIKeyXVMHFBUOQUGWAX-GFCCVEGCSA-N
MW252.36 g/mol
LogP1.81
Rot. Bonds8

About 4-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline

4-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline (PubChem CID 55189419) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline
PubChem CID55189419
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline
SMILESCOCCN(CCOC)c1ccc([C@@H](C)N)cc1
InChIInChI=1S/C14H24N2O2/c1-12(15)13-4-6-14(7-5-13)16(8-10-17-2)9-11-18-3/h4-7,12H,8-11,15H2,1-3H3/t12-/m1/s1
InChIKeyXVMHFBUOQUGWAX-GFCCVEGCSA-N
XLogP1.81
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 54984969
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 54987087
3-[4-[(1R)-1-aminoethyl]-N-(2-methoxyethyl)anilino]propanenitrile
CID 55191198
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylaniline
CID 61427308
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 55005527
4-[(1S)-1-aminoethyl]-N-(2-methoxyethyl)-N-pentan-3-ylaniline
CID 78935497
N,N-bis(2-methoxyethyl)-4-[1-(propylamino)ethyl]aniline
CID 61418340
4-[(1S)-1-aminoethyl]-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 55189591
4-(1-aminoethyl)-N-ethyl-N-propylaniline
CID 43268863
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-(2-methoxyethyl)aniline
CID 63368752
2,4-bis[4-[ethyl(2-methoxyethyl)amino]phenyl]pentan-3-one
CID 174404931
4-[(1S)-1-aminoethyl]-2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 78934764

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline (CID 55189419) is 4-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline is COCCN(CCOC)c1ccc([C@@H](C)N)cc1.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline?
The InChIKey is XVMHFBUOQUGWAX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12(15)13-4-6-14(7-5-13)16(8-10-17-2)9-11-18-3/h4-7,12H,8-11,15H2,1-3H3/t12-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline?
4-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline has a molecular weight of 252.36 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline is sourced from PubChem (CID 55189419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).