2-[(5-chloro-2-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine

C16H26ClNO — CID 63507590

IUPAC2-[(5-chloro-2-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine
SMILESCCNCC(CC)(CC)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C16H26ClNO/c1-5-16(6-2,12-18-7-3)11-13-10-14(17)8-9-15(13)19-4/h8-10,18H,5-7,11-12H2,1-4H3
InChIKeyVPFCHSSCXJOBER-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.31
Rot. Bonds8

About 2-[(5-chloro-2-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine

2-[(5-chloro-2-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine (PubChem CID 63507590) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine
PubChem CID63507590
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name2-[(5-chloro-2-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine
SMILESCCNCC(CC)(CC)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C16H26ClNO/c1-5-16(6-2,12-18-7-3)11-13-10-14(17)8-9-15(13)19-4/h8-10,18H,5-7,11-12H2,1-4H3
InChIKeyVPFCHSSCXJOBER-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 63509806
4-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 81023645
2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethylhexan-1-ol
CID 66059544
2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine
CID 65318529
2-[(3-bromo-4-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine
CID 63508796
3-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 62622768
6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine
CID 104544671
2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 65318481
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
N-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]-2-methylbutan-1-amine
CID 55106705
2-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpropane-1,3-diol
CID 79016756
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-2-ol
CID 80557519

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine (CID 63507590) is 2-[(5-chloro-2-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine is CCNCC(CC)(CC)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine?
The InChIKey is VPFCHSSCXJOBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-5-16(6-2,12-18-7-3)11-13-10-14(17)8-9-15(13)19-4/h8-10,18H,5-7,11-12H2,1-4H3.
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine?
2-[(5-chloro-2-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine has a molecular weight of 283.84 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine is sourced from PubChem (CID 63507590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).