4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine

C17H30N2O — CID 43279821

IUPAC4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-5-12-18-15(2)6-7-16-8-10-17(11-9-16)20-14-13-19(3)4/h8-11,15,18H,5-7,12-14H2,1-4H3
InChIKeyQSIMCIPVLXNXMQ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.95
Rot. Bonds10

About 4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine

4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine (PubChem CID 43279821) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine
PubChem CID43279821
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-5-12-18-15(2)6-7-16-8-10-17(11-9-16)20-14-13-19(3)4/h8-11,15,18H,5-7,12-14H2,1-4H3
InChIKeyQSIMCIPVLXNXMQ-UHFFFAOYSA-N
XLogP2.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine
CID 80699637
4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride
CID 19885274
N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 43754790
4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
CID 16786701
2-methyl-1-[4-[3-(propylamino)butyl]phenoxy]propan-2-ol
CID 60881953
4-[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-propylbutan-2-amine
CID 106436815
4-(4-but-3-en-2-yloxyphenyl)-N-propylbutan-2-amine
CID 62389850
N-[2-(4-propylphenoxy)ethyl]butan-2-amine
CID 62584206
(2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine
CID 827396
4-(4-ethoxyphenyl)-N-ethylbutan-2-amine
CID 43279773
4-(4-butoxyphenyl)-N-propan-2-ylbutan-2-amine;hydrochloride
CID 19885187
2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715461

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine?
The IUPAC name of 4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine (CID 43279821) is 4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine.
What is the SMILES notation for 4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine?
The canonical SMILES for 4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine is CCCNC(C)CCc1ccc(OCCN(C)C)cc1.
What is the InChIKey of 4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine?
The InChIKey is QSIMCIPVLXNXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-12-18-15(2)6-7-16-8-10-17(11-9-16)20-14-13-19(3)4/h8-11,15,18H,5-7,12-14H2,1-4H3.
What are the key properties of 4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine?
4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine is sourced from PubChem (CID 43279821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).