4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine

C15H24ClNO — CID 62485010

IUPAC4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine
SMILESCCc1cc(OCCCCNC(C)C)ccc1Cl
InChIInChI=1S/C15H24ClNO/c1-4-13-11-14(7-8-15(13)16)18-10-6-5-9-17-12(2)3/h7-8,11-12,17H,4-6,9-10H2,1-3H3
InChIKeyXFGNQWRXJIHIQL-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.06
Rot. Bonds8

About 4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine

4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine (PubChem CID 62485010) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine
PubChem CID62485010
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine
SMILESCCc1cc(OCCCCNC(C)C)ccc1Cl
InChIInChI=1S/C15H24ClNO/c1-4-13-11-14(7-8-15(13)16)18-10-6-5-9-17-12(2)3/h7-8,11-12,17H,4-6,9-10H2,1-3H3
InChIKeyXFGNQWRXJIHIQL-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.06
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

4-(3,4-dichlorophenoxy)-N-propan-2-ylbutan-1-amine
CID 2298232
5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine
CID 62485763
4-(4-chloro-3-ethylphenoxy)-N-ethylbutan-1-amine
CID 62484830
(2R)-N-[2-(4-chloro-3-ethylphenoxy)ethyl]butan-2-amine
CID 2184559
N-[2-(4-chloro-3-ethylphenoxy)ethyl]-5-methylhexan-2-amine
CID 63516682
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
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine
CID 55076773
2-[(4-chloro-3-ethylphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103066944
N-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine
CID 43247811
1-(4-chloro-3-ethylphenoxy)propan-2-ol
CID 65277368
5-[4-(2-methylbutan-2-yl)phenoxy]-N-propan-2-ylpentan-1-amine
CID 63498583

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine (CID 62485010) is 4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine is CCc1cc(OCCCCNC(C)C)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine?
The InChIKey is XFGNQWRXJIHIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-4-13-11-14(7-8-15(13)16)18-10-6-5-9-17-12(2)3/h7-8,11-12,17H,4-6,9-10H2,1-3H3.
What are the key properties of 4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine?
4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62485010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).