2-(2-chloro-6-decoxyphenyl)ethanamine

C18H30ClNO — CID 114321578

IUPAC2-(2-chloro-6-decoxyphenyl)ethanamine
SMILESCCCCCCCCCCOc1cccc(Cl)c1CCN
InChIInChI=1S/C18H30ClNO/c1-2-3-4-5-6-7-8-9-15-21-18-12-10-11-17(19)16(18)13-14-20/h10-12H,2-9,13-15,20H2,1H3
InChIKeyBGOIMRKFMCENDU-UHFFFAOYSA-N
MW311.90 g/mol
LogP5.36
Rot. Bonds12

About 2-(2-chloro-6-decoxyphenyl)ethanamine

2-(2-chloro-6-decoxyphenyl)ethanamine (PubChem CID 114321578) has the molecular formula C18H30ClNO and a molecular weight of 311.90 g/mol. Its IUPAC name is 2-(2-chloro-6-decoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-decoxyphenyl)ethanamine
PubChem CID114321578
Molecular FormulaC18H30ClNO
Molecular Weight311.90 g/mol
Exact Mass311.20
IUPAC Name2-(2-chloro-6-decoxyphenyl)ethanamine
SMILESCCCCCCCCCCOc1cccc(Cl)c1CCN
InChIInChI=1S/C18H30ClNO/c1-2-3-4-5-6-7-8-9-15-21-18-12-10-11-17(19)16(18)13-14-20/h10-12H,2-9,13-15,20H2,1H3
InChIKeyBGOIMRKFMCENDU-UHFFFAOYSA-N
XLogP5.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.90
LogP ≤ 55.36
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

1-(2-chloro-6-nonoxyphenyl)-N-methylmethanamine
CID 114318647
1,3-di(pentadecoxy)-2-propylbenzene
CID 91341779
N-[(2-chloro-6-octoxyphenyl)methyl]propan-1-amine
CID 114319420
2-[2-chloro-6-(2-cyclopropylethoxy)phenyl]ethanamine
CID 114321436
1-chloro-2-hexyl-3-methoxybenzene
CID 166753940
2-[2-chloro-6-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanamine
CID 114321645
2-[2-chloro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 55238568
2-(3-chloro-4-nonoxyphenyl)ethanamine
CID 63421979
2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 114321489
1-chloro-3-methoxy-2-pentylbenzene
CID 173336348
2-(3-ethoxy-2-heptoxyphenyl)ethanamine
CID 60905453
2-chloro-6-heptoxybenzaldehyde
CID 45282902

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-decoxyphenyl)ethanamine?
The IUPAC name of 2-(2-chloro-6-decoxyphenyl)ethanamine (CID 114321578) is 2-(2-chloro-6-decoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-decoxyphenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-decoxyphenyl)ethanamine is CCCCCCCCCCOc1cccc(Cl)c1CCN.
What is the InChIKey of 2-(2-chloro-6-decoxyphenyl)ethanamine?
The InChIKey is BGOIMRKFMCENDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClNO/c1-2-3-4-5-6-7-8-9-15-21-18-12-10-11-17(19)16(18)13-14-20/h10-12H,2-9,13-15,20H2,1H3.
What are the key properties of 2-(2-chloro-6-decoxyphenyl)ethanamine?
2-(2-chloro-6-decoxyphenyl)ethanamine has a molecular weight of 311.90 g/mol, XLogP of 5.36, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-decoxyphenyl)ethanamine is sourced from PubChem (CID 114321578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).