1-N-(2-methoxyethyl)-1-(3-methoxyphenyl)-1-N-propan-2-ylbutane-1,2-diamine

C17H30N2O2 — CID 82940398

IUPAC1-N-(2-methoxyethyl)-1-(3-methoxyphenyl)-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(N)C(c1cccc(OC)c1)N(CCOC)C(C)C
InChIInChI=1S/C17H30N2O2/c1-6-16(18)17(19(13(2)3)10-11-20-4)14-8-7-9-15(12-14)21-5/h7-9,12-13,16-17H,6,10-11,18H2,1-5H3
InChIKeyHAFSFOPGHRGXMW-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.83
Rot. Bonds9

About 1-N-(2-methoxyethyl)-1-(3-methoxyphenyl)-1-N-propan-2-ylbutane-1,2-diamine

1-N-(2-methoxyethyl)-1-(3-methoxyphenyl)-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 82940398) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-1-(3-methoxyphenyl)-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-1-(3-methoxyphenyl)-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID82940398
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-N-(2-methoxyethyl)-1-(3-methoxyphenyl)-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(N)C(c1cccc(OC)c1)N(CCOC)C(C)C
InChIInChI=1S/C17H30N2O2/c1-6-16(18)17(19(13(2)3)10-11-20-4)14-8-7-9-15(12-14)21-5/h7-9,12-13,16-17H,6,10-11,18H2,1-5H3
InChIKeyHAFSFOPGHRGXMW-UHFFFAOYSA-N
XLogP2.83
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(2-ethoxyethyl)-1-(3-methoxyphenyl)-1-N-methylbutane-1,2-diamine
CID 81053839
1-(3-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 82948540
1-butan-2-yloxy-1-(3-methoxyphenyl)butan-2-amine
CID 55018410
N-ethyl-1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 43265559
(2S)-4-[di(propan-2-yl)amino]-2-(3-methoxyphenyl)butanoic acid
CID 27282104
2-ethylsulfonyl-1-(3-methoxyphenyl)propan-1-amine
CID 82360005
1-(2-ethoxyethoxy)-1-(3-methoxyphenyl)propan-2-amine
CID 55018409
1-N-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 63694101
1-(3-methoxyphenyl)-1-pentylsulfanylbutan-2-amine
CID 107748451
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
N'-(2-methoxyethyl)-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 55126860

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-1-(3-methoxyphenyl)-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 1-N-(2-methoxyethyl)-1-(3-methoxyphenyl)-1-N-propan-2-ylbutane-1,2-diamine (CID 82940398) is 1-N-(2-methoxyethyl)-1-(3-methoxyphenyl)-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxyethyl)-1-(3-methoxyphenyl)-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxyethyl)-1-(3-methoxyphenyl)-1-N-propan-2-ylbutane-1,2-diamine is CCC(N)C(c1cccc(OC)c1)N(CCOC)C(C)C.
What is the InChIKey of 1-N-(2-methoxyethyl)-1-(3-methoxyphenyl)-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is HAFSFOPGHRGXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-6-16(18)17(19(13(2)3)10-11-20-4)14-8-7-9-15(12-14)21-5/h7-9,12-13,16-17H,6,10-11,18H2,1-5H3.
What are the key properties of 1-N-(2-methoxyethyl)-1-(3-methoxyphenyl)-1-N-propan-2-ylbutane-1,2-diamine?
1-N-(2-methoxyethyl)-1-(3-methoxyphenyl)-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 294.44 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-1-(3-methoxyphenyl)-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 82940398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).