1-(2-methoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine

C17H30N2O — CID 102912491

IUPAC1-(2-methoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
SMILESCOc1ccccc1C(CN)NCC(C(C)C)C(C)C
InChIInChI=1S/C17H30N2O/c1-12(2)15(13(3)4)11-19-16(10-18)14-8-6-7-9-17(14)20-5/h6-9,12-13,15-16,19H,10-11,18H2,1-5H3
InChIKeyJIEXNOHHYJRSNA-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.21
Rot. Bonds8

About 1-(2-methoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine

1-(2-methoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine (PubChem CID 102912491) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
PubChem CID102912491
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(2-methoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
SMILESCOc1ccccc1C(CN)NCC(C(C)C)C(C)C
InChIInChI=1S/C17H30N2O/c1-12(2)15(13(3)4)11-19-16(10-18)14-8-6-7-9-17(14)20-5/h6-9,12-13,15-16,19H,10-11,18H2,1-5H3
InChIKeyJIEXNOHHYJRSNA-UHFFFAOYSA-N
XLogP3.21
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 62066193
1-(2-chlorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912678
1-[2-(difluoromethoxy)phenyl]-N-(2-methoxypropyl)ethane-1,2-diamine
CID 102697102
1-(2-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65380773
N-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 65385216
1-[1-(2-methoxyphenyl)propylamino]propan-2-ol
CID 43776231
1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 62066384
1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114466724
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
1-(4-ethoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912603
N-(4-chlorophenyl)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 65385525
N-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 105476318

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine (CID 102912491) is 1-(2-methoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine is COc1ccccc1C(CN)NCC(C(C)C)C(C)C.
What is the InChIKey of 1-(2-methoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
The InChIKey is JIEXNOHHYJRSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12(2)15(13(3)4)11-19-16(10-18)14-8-6-7-9-17(14)20-5/h6-9,12-13,15-16,19H,10-11,18H2,1-5H3.
What are the key properties of 1-(2-methoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
1-(2-methoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 102912491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).