N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine

C15H26N2O — CID 43754790

IUPACN-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc(CCC(C)NCCN(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-13(16-11-12-17(2)3)5-6-14-7-9-15(18-4)10-8-14/h7-10,13,16H,5-6,11-12H2,1-4H3
InChIKeyXIZQMXIGYAWCFK-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.17
Rot. Bonds8

About N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine

N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 43754790) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID43754790
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc(CCC(C)NCCN(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-13(16-11-12-17(2)3)5-6-14-7-9-15(18-4)10-8-14/h7-10,13,16H,5-6,11-12H2,1-4H3
InChIKeyXIZQMXIGYAWCFK-UHFFFAOYSA-N
XLogP2.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
3-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]-1,1-dimethylurea
CID 83107943
4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine
CID 43279821
N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 43178052
N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62554430
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 83188272
4-(4-methoxyphenyl)-N-(3-methylsulfinylpropyl)butan-2-amine
CID 115720927
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 43178051
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol
CID 10806259
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 5147026

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine (CID 43754790) is N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine is COc1ccc(CCC(C)NCCN(C)C)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is XIZQMXIGYAWCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13(16-11-12-17(2)3)5-6-14-7-9-15(18-4)10-8-14/h7-10,13,16H,5-6,11-12H2,1-4H3.
What are the key properties of N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine?
N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 43754790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).