(1R)-1-(3-butoxyphenyl)-N-ethylethanamine

C14H23NO — CID 93007499

IUPAC(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
SMILESCCCCOc1cccc([C@@H](C)NCC)c1
InChIInChI=1S/C14H23NO/c1-4-6-10-16-14-9-7-8-13(11-14)12(3)15-5-2/h7-9,11-12,15H,4-6,10H2,1-3H3/t12-/m1/s1
InChIKeyAHALWVMPMPLIIA-GFCCVEGCSA-N
MW221.34 g/mol
LogP3.54
Rot. Bonds7

About (1R)-1-(3-butoxyphenyl)-N-ethylethanamine

(1R)-1-(3-butoxyphenyl)-N-ethylethanamine (PubChem CID 93007499) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (1R)-1-(3-butoxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
PubChem CID93007499
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
SMILESCCCCOc1cccc([C@@H](C)NCC)c1
InChIInChI=1S/C14H23NO/c1-4-6-10-16-14-9-7-8-13(11-14)12(3)15-5-2/h7-9,11-12,15H,4-6,10H2,1-3H3/t12-/m1/s1
InChIKeyAHALWVMPMPLIIA-GFCCVEGCSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.54
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

N-[1-[3-(3-ethoxypropoxy)phenyl]ethyl]propan-1-amine
CID 65176727
N-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine
CID 65365407
N-[(1S)-1-(3-ethoxyphenyl)ethyl]butan-1-amine
CID 99695653
3-[3-[1-(ethylamino)ethyl]phenoxy]-N,N-dimethylpropanamide
CID 54879287
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
N-ethyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
CID 82888041
N-ethyl-1-(4-hexoxyphenyl)ethanamine
CID 43279274
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine
CID 65176672
N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]propan-1-amine
CID 43280026
2-[3-[1-(ethylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489519
1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine
CID 79167388

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-butoxyphenyl)-N-ethylethanamine?
The IUPAC name of (1R)-1-(3-butoxyphenyl)-N-ethylethanamine (CID 93007499) is (1R)-1-(3-butoxyphenyl)-N-ethylethanamine.
What is the SMILES notation for (1R)-1-(3-butoxyphenyl)-N-ethylethanamine?
The canonical SMILES for (1R)-1-(3-butoxyphenyl)-N-ethylethanamine is CCCCOc1cccc([C@@H](C)NCC)c1.
What is the InChIKey of (1R)-1-(3-butoxyphenyl)-N-ethylethanamine?
The InChIKey is AHALWVMPMPLIIA-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-6-10-16-14-9-7-8-13(11-14)12(3)15-5-2/h7-9,11-12,15H,4-6,10H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-(3-butoxyphenyl)-N-ethylethanamine?
(1R)-1-(3-butoxyphenyl)-N-ethylethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-butoxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 93007499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).