N-butan-2-yl-N-ethyl-1-(4-propoxyphenyl)ethane-1,2-diamine

C17H30N2O — CID 62496776

IUPACN-butan-2-yl-N-ethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(C(CN)N(CC)C(C)CC)cc1
InChIInChI=1S/C17H30N2O/c1-5-12-20-16-10-8-15(9-11-16)17(13-18)19(7-3)14(4)6-2/h8-11,14,17H,5-7,12-13,18H2,1-4H3
InChIKeyLKVTUFYTDRFBQO-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.60
Rot. Bonds9

About N-butan-2-yl-N-ethyl-1-(4-propoxyphenyl)ethane-1,2-diamine

N-butan-2-yl-N-ethyl-1-(4-propoxyphenyl)ethane-1,2-diamine (PubChem CID 62496776) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-butan-2-yl-N-ethyl-1-(4-propoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N-ethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
PubChem CID62496776
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-butan-2-yl-N-ethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(C(CN)N(CC)C(C)CC)cc1
InChIInChI=1S/C17H30N2O/c1-5-12-20-16-10-8-15(9-11-16)17(13-18)19(7-3)14(4)6-2/h8-11,14,17H,5-7,12-13,18H2,1-4H3
InChIKeyLKVTUFYTDRFBQO-UHFFFAOYSA-N
XLogP3.60
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-N-ethyl-1-(4-propoxyphenyl)ethane-1,2-diamine 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

N-ethyl-N-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 79481726
N-methyl-N-propan-2-yl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 62495292
N,N-diethyl-1-(4-pentoxyphenyl)ethane-1,2-diamine
CID 82043554
N-methyl-N-(2-methylsulfanylethyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 112658310
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
N-methyl-N-(oxan-4-yl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 62495950
1-(3-bromo-4-chlorophenyl)-N-butan-2-yl-N-ethylethane-1,2-diamine
CID 83231027
N'-ethyl-N'-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 79481917
1-(4-cyclopropylphenyl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 79984792
N'-methyl-2-(4-propoxyphenyl)propane-1,3-diamine
CID 20546440
1-(4-ethoxyphenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine
CID 61437255

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethyl-1-(4-propoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N-ethyl-1-(4-propoxyphenyl)ethane-1,2-diamine (CID 62496776) is N-butan-2-yl-N-ethyl-1-(4-propoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N-ethyl-1-(4-propoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N-ethyl-1-(4-propoxyphenyl)ethane-1,2-diamine is CCCOc1ccc(C(CN)N(CC)C(C)CC)cc1.
What is the InChIKey of N-butan-2-yl-N-ethyl-1-(4-propoxyphenyl)ethane-1,2-diamine?
The InChIKey is LKVTUFYTDRFBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-12-20-16-10-8-15(9-11-16)17(13-18)19(7-3)14(4)6-2/h8-11,14,17H,5-7,12-13,18H2,1-4H3.
What are the key properties of N-butan-2-yl-N-ethyl-1-(4-propoxyphenyl)ethane-1,2-diamine?
N-butan-2-yl-N-ethyl-1-(4-propoxyphenyl)ethane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethyl-1-(4-propoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62496776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).