2-N-[1-[4-[3-(diethylamino)propoxy]phenyl]ethyl]-1-N,1-N-dimethylpropane-1,2-diamine

C20H37N3O — CID 59640538

IUPAC2-N-[1-[4-[3-(diethylamino)propoxy]phenyl]ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CC)CCCOc1ccc(C(C)NC(C)CN(C)C)cc1
InChIInChI=1S/C20H37N3O/c1-7-23(8-2)14-9-15-24-20-12-10-19(11-13-20)18(4)21-17(3)16-22(5)6/h10-13,17-18,21H,7-9,14-16H2,1-6H3
InChIKeyWYHNCTYLMCAMGE-UHFFFAOYSA-N
MW335.54 g/mol
LogP3.40
Rot. Bonds12

About 2-N-[1-[4-[3-(diethylamino)propoxy]phenyl]ethyl]-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[1-[4-[3-(diethylamino)propoxy]phenyl]ethyl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 59640538) has the molecular formula C20H37N3O and a molecular weight of 335.54 g/mol. Its IUPAC name is 2-N-[1-[4-[3-(diethylamino)propoxy]phenyl]ethyl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-[4-[3-(diethylamino)propoxy]phenyl]ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID59640538
Molecular FormulaC20H37N3O
Molecular Weight335.54 g/mol
Exact Mass335.29
IUPAC Name2-N-[1-[4-[3-(diethylamino)propoxy]phenyl]ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CC)CCCOc1ccc(C(C)NC(C)CN(C)C)cc1
InChIInChI=1S/C20H37N3O/c1-7-23(8-2)14-9-15-24-20-12-10-19(11-13-20)18(4)21-17(3)16-22(5)6/h10-13,17-18,21H,7-9,14-16H2,1-6H3
InChIKeyWYHNCTYLMCAMGE-UHFFFAOYSA-N
XLogP3.40
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-propoxyphenyl)ethyl]hexan-2-amine
CID 63476745
1-N,1-N-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pentane-1,4-diamine
CID 43178400
1-[4-[3-(diethylamino)propoxy]phenyl]ethanol;4-[3-(dipropylamino)propoxy]benzonitrile
CID 70074611
N-[1-(4-ethoxyphenyl)ethyl]pentan-2-amine
CID 43191473
methyl 4-[3-(diethylamino)propoxy]benzoate
CID 18508138
N,N-diethyl-3-(4-nitrophenoxy)propan-1-amine;hydrochloride
CID 19863387
1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one
CID 155387268
1-N,1-N-diethyl-4-N-[1-(3-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 43193479
[(1S)-1-(4-butoxyphenyl)ethyl]hydrazine
CID 98014048
N,N-diethyl-3-[4-[1-[3-(trifluoromethyl)phenyl]propyl]phenoxy]propan-1-amine
CID 173414314
4-[3-[1-(dimethylamino)propan-2-yl-ethylamino]propoxy]benzonitrile
CID 103188933
N-[3-[4-(aminomethyl)phenoxy]propyl]-N,2-diethylbutan-1-amine
CID 43588416

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[4-[3-(diethylamino)propoxy]phenyl]ethyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[1-[4-[3-(diethylamino)propoxy]phenyl]ethyl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 59640538) is 2-N-[1-[4-[3-(diethylamino)propoxy]phenyl]ethyl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[1-[4-[3-(diethylamino)propoxy]phenyl]ethyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[1-[4-[3-(diethylamino)propoxy]phenyl]ethyl]-1-N,1-N-dimethylpropane-1,2-diamine is CCN(CC)CCCOc1ccc(C(C)NC(C)CN(C)C)cc1.
What is the InChIKey of 2-N-[1-[4-[3-(diethylamino)propoxy]phenyl]ethyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is WYHNCTYLMCAMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O/c1-7-23(8-2)14-9-15-24-20-12-10-19(11-13-20)18(4)21-17(3)16-22(5)6/h10-13,17-18,21H,7-9,14-16H2,1-6H3.
What are the key properties of 2-N-[1-[4-[3-(diethylamino)propoxy]phenyl]ethyl]-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[1-[4-[3-(diethylamino)propoxy]phenyl]ethyl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 335.54 g/mol, XLogP of 3.40, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[4-[3-(diethylamino)propoxy]phenyl]ethyl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 59640538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).