N-[1-(4-methoxyphenyl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

C17H30N2O — CID 43191156

IUPACN-[1-(4-methoxyphenyl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCOc1ccc(C(C)NCCN(C(C)C)C(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-13(2)19(14(3)4)12-11-18-15(5)16-7-9-17(20-6)10-8-16/h7-10,13-15,18H,11-12H2,1-6H3
InChIKeyIAQRINQSMJLXDP-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.46
Rot. Bonds8

About N-[1-(4-methoxyphenyl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-[1-(4-methoxyphenyl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 43191156) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID43191156
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCOc1ccc(C(C)NCCN(C(C)C)C(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-13(2)19(14(3)4)12-11-18-15(5)16-7-9-17(20-6)10-8-16/h7-10,13-15,18H,11-12H2,1-6H3
InChIKeyIAQRINQSMJLXDP-UHFFFAOYSA-N
XLogP3.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylphenyl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43191140
(1S)-1-(4-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 81371404
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 83155306
3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 81370417
3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
CID 43206530
N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 23154308
N-[(1S)-1-(4-methoxyphenyl)ethyl]but-3-yn-1-amine
CID 81370404
N-[(1R)-1-(4-methoxyphenyl)ethyl]but-3-en-1-amine
CID 71661481
4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 81371223
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine
CID 104562502
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209430

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 43191156) is N-[1-(4-methoxyphenyl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is COc1ccc(C(C)NCCN(C(C)C)C(C)C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is IAQRINQSMJLXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-13(2)19(14(3)4)12-11-18-15(5)16-7-9-17(20-6)10-8-16/h7-10,13-15,18H,11-12H2,1-6H3.
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-[1-(4-methoxyphenyl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 43191156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).