2-(3,5-dichloro-2-nonoxyphenyl)ethanamine

C17H27Cl2NO — CID 63421467

IUPAC2-(3,5-dichloro-2-nonoxyphenyl)ethanamine
SMILESCCCCCCCCCOc1c(Cl)cc(Cl)cc1CCN
InChIInChI=1S/C17H27Cl2NO/c1-2-3-4-5-6-7-8-11-21-17-14(9-10-20)12-15(18)13-16(17)19/h12-13H,2-11,20H2,1H3
InChIKeyNUFAJRYUHXRGSU-UHFFFAOYSA-N
MW332.32 g/mol
LogP5.62
Rot. Bonds11

About 2-(3,5-dichloro-2-nonoxyphenyl)ethanamine

2-(3,5-dichloro-2-nonoxyphenyl)ethanamine (PubChem CID 63421467) has the molecular formula C17H27Cl2NO and a molecular weight of 332.32 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-nonoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dichloro-2-nonoxyphenyl)ethanamine
PubChem CID63421467
Molecular FormulaC17H27Cl2NO
Molecular Weight332.32 g/mol
Exact Mass331.15
IUPAC Name2-(3,5-dichloro-2-nonoxyphenyl)ethanamine
SMILESCCCCCCCCCOc1c(Cl)cc(Cl)cc1CCN
InChIInChI=1S/C17H27Cl2NO/c1-2-3-4-5-6-7-8-11-21-17-14(9-10-20)12-15(18)13-16(17)19/h12-13H,2-11,20H2,1H3
InChIKeyNUFAJRYUHXRGSU-UHFFFAOYSA-N
XLogP5.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.32
LogP ≤ 55.62
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

(3,5-dichloro-2-octoxyphenyl)methanamine
CID 43515616
2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine
CID 81114613
1,3,5-trichloro-2-octadecoxybenzene
CID 20520413
1,3,5-trichloro-2-tetradecoxybenzene
CID 6429977
1-(3,5-dichloro-2-octoxyphenyl)propan-2-amine
CID 63421710
1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine
CID 43515702
3,5-dichloro-2-hexoxyaniline
CID 54853380
4-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylbutanamide
CID 63891456
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine
CID 43515784
6-(3,5-dichloro-2-propoxyphenyl)hexan-3-amine
CID 83941333
2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60905717
2-[3,5-dichloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 54930466

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-nonoxyphenyl)ethanamine?
The IUPAC name of 2-(3,5-dichloro-2-nonoxyphenyl)ethanamine (CID 63421467) is 2-(3,5-dichloro-2-nonoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3,5-dichloro-2-nonoxyphenyl)ethanamine?
The canonical SMILES for 2-(3,5-dichloro-2-nonoxyphenyl)ethanamine is CCCCCCCCCOc1c(Cl)cc(Cl)cc1CCN.
What is the InChIKey of 2-(3,5-dichloro-2-nonoxyphenyl)ethanamine?
The InChIKey is NUFAJRYUHXRGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27Cl2NO/c1-2-3-4-5-6-7-8-11-21-17-14(9-10-20)12-15(18)13-16(17)19/h12-13H,2-11,20H2,1H3.
What are the key properties of 2-(3,5-dichloro-2-nonoxyphenyl)ethanamine?
2-(3,5-dichloro-2-nonoxyphenyl)ethanamine has a molecular weight of 332.32 g/mol, XLogP of 5.62, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-2-nonoxyphenyl)ethanamine is sourced from PubChem (CID 63421467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).