N-[(2,5-dichlorophenyl)methyl]-2-(3-methylbutoxy)ethanamine

C14H21Cl2NO — CID 65316391

IUPACN-[(2,5-dichlorophenyl)methyl]-2-(3-methylbutoxy)ethanamine
SMILESCC(C)CCOCCNCc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-11(2)5-7-18-8-6-17-10-12-9-13(15)3-4-14(12)16/h3-4,9,11,17H,5-8,10H2,1-2H3
InChIKeyGQQAHFBZCBRAEY-UHFFFAOYSA-N
MW290.23 g/mol
LogP4.15
Rot. Bonds8

About N-[(2,5-dichlorophenyl)methyl]-2-(3-methylbutoxy)ethanamine

N-[(2,5-dichlorophenyl)methyl]-2-(3-methylbutoxy)ethanamine (PubChem CID 65316391) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-2-(3-methylbutoxy)ethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-2-(3-methylbutoxy)ethanamine
PubChem CID65316391
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-2-(3-methylbutoxy)ethanamine
SMILESCC(C)CCOCCNCc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2NO/c1-11(2)5-7-18-8-6-17-10-12-9-13(15)3-4-14(12)16/h3-4,9,11,17H,5-8,10H2,1-2H3
InChIKeyGQQAHFBZCBRAEY-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine
CID 65316170
N-[(2,5-dichlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 103844872
N-[(5-chloroquinolin-8-yl)methyl]-2-(3-methylbutoxy)ethanamine
CID 115697403
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206959
N-[(4-chloro-3-nitrophenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 78916610
N-[[2-(methoxymethyl)phenyl]methyl]-2-(3-methylbutoxy)ethanamine
CID 61483710
3,4-dichloro-N-[2-(3-methylbutoxy)ethyl]aniline
CID 63490012
4-chloro-N-[(2,5-dichlorophenyl)methyl]-2-methylbutan-1-amine
CID 66092712
4-chloro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine
CID 113315721
2-[2-(2,5-dichlorophenyl)ethoxy]-N-methylethanamine
CID 65303071
N-[(2,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55032016
4-chloro-2-(chloromethyl)-1-[2-(3-methylbutoxy)ethoxy]benzene
CID 63534668

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-2-(3-methylbutoxy)ethanamine?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-2-(3-methylbutoxy)ethanamine (CID 65316391) is N-[(2,5-dichlorophenyl)methyl]-2-(3-methylbutoxy)ethanamine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-2-(3-methylbutoxy)ethanamine?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-2-(3-methylbutoxy)ethanamine is CC(C)CCOCCNCc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-2-(3-methylbutoxy)ethanamine?
The InChIKey is GQQAHFBZCBRAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-11(2)5-7-18-8-6-17-10-12-9-13(15)3-4-14(12)16/h3-4,9,11,17H,5-8,10H2,1-2H3.
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-2-(3-methylbutoxy)ethanamine?
N-[(2,5-dichlorophenyl)methyl]-2-(3-methylbutoxy)ethanamine has a molecular weight of 290.23 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-2-(3-methylbutoxy)ethanamine is sourced from PubChem (CID 65316391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).