(2S)-N-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine

C15H24ClNO2 — CID 2184444

IUPAC(2S)-N-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine
SMILESCC[C@H](C)NCCOCCOc1ccc(C)cc1Cl
InChIInChI=1S/C15H24ClNO2/c1-4-13(3)17-7-8-18-9-10-19-15-6-5-12(2)11-14(15)16/h5-6,11,13,17H,4,7-10H2,1-3H3/t13-/m0/s1
InChIKeyGDAGSMSSCCREMI-ZDUSSCGKSA-N
MW285.81 g/mol
LogP3.43
Rot. Bonds9

About (2S)-N-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine

(2S)-N-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine (PubChem CID 2184444) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is (2S)-N-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine.

Molecular Properties

Compound Name(2S)-N-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine
PubChem CID2184444
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name(2S)-N-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine
SMILESCC[C@H](C)NCCOCCOc1ccc(C)cc1Cl
InChIInChI=1S/C15H24ClNO2/c1-4-13(3)17-7-8-18-9-10-19-15-6-5-12(2)11-14(15)16/h5-6,11,13,17H,4,7-10H2,1-3H3/t13-/m0/s1
InChIKeyGDAGSMSSCCREMI-ZDUSSCGKSA-N
XLogP3.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[2-(2-chloro-4-methylphenoxy)ethyl]butan-2-amine
CID 2183230
N-[2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl]butan-2-amine
CID 2935622
N-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2935222
N-[2-[2-(4-chloronaphthalen-1-yl)oxyethoxy]ethyl]butan-2-amine
CID 2935926
(2R)-N-[3-(4-bromo-2-chlorophenoxy)propyl]butan-2-amine
CID 2181982
N-[3-(4-bromo-2-chlorophenoxy)propyl]butan-2-amine
CID 2934466
N-[2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethyl]butan-2-amine;oxalic acid
CID 2936079
N-[2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2935653
6-(2-chloro-4-methylphenoxy)-N-ethylhexan-2-amine
CID 55104805
2-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 121390824
(2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine
CID 2299919
N-[2-(2-chloro-4-methylphenoxy)ethyl]-3-methylbutan-1-amine
CID 62672412

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine?
The IUPAC name of (2S)-N-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine (CID 2184444) is (2S)-N-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine.
What is the SMILES notation for (2S)-N-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine?
The canonical SMILES for (2S)-N-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine is CC[C@H](C)NCCOCCOc1ccc(C)cc1Cl.
What is the InChIKey of (2S)-N-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine?
The InChIKey is GDAGSMSSCCREMI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-4-13(3)17-7-8-18-9-10-19-15-6-5-12(2)11-14(15)16/h5-6,11,13,17H,4,7-10H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-N-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine?
(2S)-N-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine has a molecular weight of 285.81 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine is sourced from PubChem (CID 2184444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).