(2R)-N-[2-(4-chloro-3-ethylphenoxy)ethyl]butan-2-amine

C14H22ClNO — CID 2184559

IUPAC(2R)-N-[2-(4-chloro-3-ethylphenoxy)ethyl]butan-2-amine
SMILESCCc1cc(OCCN[C@H](C)CC)ccc1Cl
InChIInChI=1S/C14H22ClNO/c1-4-11(3)16-8-9-17-13-6-7-14(15)12(5-2)10-13/h6-7,10-11,16H,4-5,8-9H2,1-3H3/t11-/m1/s1
InChIKeyQYJNVIZLAAXPFB-LLVKDONJSA-N
MW255.79 g/mol
LogP3.67
Rot. Bonds7

About (2R)-N-[2-(4-chloro-3-ethylphenoxy)ethyl]butan-2-amine

(2R)-N-[2-(4-chloro-3-ethylphenoxy)ethyl]butan-2-amine (PubChem CID 2184559) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is (2R)-N-[2-(4-chloro-3-ethylphenoxy)ethyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[2-(4-chloro-3-ethylphenoxy)ethyl]butan-2-amine
PubChem CID2184559
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name(2R)-N-[2-(4-chloro-3-ethylphenoxy)ethyl]butan-2-amine
SMILESCCc1cc(OCCN[C@H](C)CC)ccc1Cl
InChIInChI=1S/C14H22ClNO/c1-4-11(3)16-8-9-17-13-6-7-14(15)12(5-2)10-13/h6-7,10-11,16H,4-5,8-9H2,1-3H3/t11-/m1/s1
InChIKeyQYJNVIZLAAXPFB-LLVKDONJSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-N-[2-(4-chloro-3-ethylphenoxy)ethyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chloro-3-ethylphenoxy)ethyl]-5-methylhexan-2-amine
CID 63516682
4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62485010
N-[2-(4-ethylphenoxy)ethyl]butan-2-amine
CID 54802109
N-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine
CID 43247811
4-(4-chloro-3-ethylphenoxy)-N-ethylbutan-1-amine
CID 62484830
N-[2-(6-bromonaphthalen-2-yl)oxyethyl]butan-2-amine
CID 55195327
(2S)-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 2182357
1-(4-chloro-3-ethylphenoxy)propan-2-ol
CID 65277368
1-chloro-2-ethyl-4-[3-(4-methoxyphenoxy)propoxy]benzene
CID 30135289
1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 43247705
N-[2-(4-chloro-3-ethylphenoxy)ethyl]-3-methylaniline
CID 63517337
N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine
CID 63504622

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-chloro-3-ethylphenoxy)ethyl]butan-2-amine?
The IUPAC name of (2R)-N-[2-(4-chloro-3-ethylphenoxy)ethyl]butan-2-amine (CID 2184559) is (2R)-N-[2-(4-chloro-3-ethylphenoxy)ethyl]butan-2-amine.
What is the SMILES notation for (2R)-N-[2-(4-chloro-3-ethylphenoxy)ethyl]butan-2-amine?
The canonical SMILES for (2R)-N-[2-(4-chloro-3-ethylphenoxy)ethyl]butan-2-amine is CCc1cc(OCCN[C@H](C)CC)ccc1Cl.
What is the InChIKey of (2R)-N-[2-(4-chloro-3-ethylphenoxy)ethyl]butan-2-amine?
The InChIKey is QYJNVIZLAAXPFB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-11(3)16-8-9-17-13-6-7-14(15)12(5-2)10-13/h6-7,10-11,16H,4-5,8-9H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-N-[2-(4-chloro-3-ethylphenoxy)ethyl]butan-2-amine?
(2R)-N-[2-(4-chloro-3-ethylphenoxy)ethyl]butan-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-chloro-3-ethylphenoxy)ethyl]butan-2-amine is sourced from PubChem (CID 2184559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).