N-butyl-N-ethyl-1-(2-propan-2-yloxyphenyl)ethane-1,2-diamine

C17H30N2O — CID 82043559

IUPACN-butyl-N-ethyl-1-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCCCCN(CC)C(CN)c1ccccc1OC(C)C
InChIInChI=1S/C17H30N2O/c1-5-7-12-19(6-2)16(13-18)15-10-8-9-11-17(15)20-14(3)4/h8-11,14,16H,5-7,12-13,18H2,1-4H3
InChIKeyVKCDDGFCNULGMU-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.60
Rot. Bonds9

About N-butyl-N-ethyl-1-(2-propan-2-yloxyphenyl)ethane-1,2-diamine

N-butyl-N-ethyl-1-(2-propan-2-yloxyphenyl)ethane-1,2-diamine (PubChem CID 82043559) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-butyl-N-ethyl-1-(2-propan-2-yloxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N-ethyl-1-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
PubChem CID82043559
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-butyl-N-ethyl-1-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCCCCN(CC)C(CN)c1ccccc1OC(C)C
InChIInChI=1S/C17H30N2O/c1-5-7-12-19(6-2)16(13-18)15-10-8-9-11-17(15)20-14(3)4/h8-11,14,16H,5-7,12-13,18H2,1-4H3
InChIKeyVKCDDGFCNULGMU-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

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-N-ethyl-N-propylethane-1,2-diamine
CID 43268646
N'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991464
1-[2-(difluoromethoxy)phenyl]-N-methyl-N-pentylethane-1,2-diamine
CID 43294708
(1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine
CID 171231533
3-[[2-amino-1-(2-chlorophenyl)ethyl]-ethylamino]propan-1-ol
CID 113468616
N,N-bis(2-methoxyethyl)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 60709829
N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
CID 115524220
1-(2-bromophenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 61448446
N'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991984
(1R)-N,N-diethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 93489617
N-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine
CID 43079217
N-butan-2-yl-N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 43274304

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-1-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-butyl-N-ethyl-1-(2-propan-2-yloxyphenyl)ethane-1,2-diamine (CID 82043559) is N-butyl-N-ethyl-1-(2-propan-2-yloxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-butyl-N-ethyl-1-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-butyl-N-ethyl-1-(2-propan-2-yloxyphenyl)ethane-1,2-diamine is CCCCN(CC)C(CN)c1ccccc1OC(C)C.
What is the InChIKey of N-butyl-N-ethyl-1-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
The InChIKey is VKCDDGFCNULGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-7-12-19(6-2)16(13-18)15-10-8-9-11-17(15)20-14(3)4/h8-11,14,16H,5-7,12-13,18H2,1-4H3.
What are the key properties of N-butyl-N-ethyl-1-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
N-butyl-N-ethyl-1-(2-propan-2-yloxyphenyl)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-butyl-N-ethyl-1-(2-propan-2-yloxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 82043559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).