(1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine

C15H25NO2 — CID 100556304

IUPAC(1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine
SMILESCCCCOc1ccccc1[C@H](C)NCCOC
InChIInChI=1S/C15H25NO2/c1-4-5-11-18-15-9-7-6-8-14(15)13(2)16-10-12-17-3/h6-9,13,16H,4-5,10-12H2,1-3H3/t13-/m0/s1
InChIKeyJFELRCZDELFMCJ-ZDUSSCGKSA-N
MW251.37 g/mol
LogP3.16
Rot. Bonds9

About (1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine

(1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine (PubChem CID 100556304) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine
PubChem CID100556304
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine
SMILESCCCCOc1ccccc1[C@H](C)NCCOC
InChIInChI=1S/C15H25NO2/c1-4-5-11-18-15-9-7-6-8-14(15)13(2)16-10-12-17-3/h6-9,13,16H,4-5,10-12H2,1-3H3/t13-/m0/s1
InChIKeyJFELRCZDELFMCJ-ZDUSSCGKSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.16
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

N-[1-(2-hexoxyphenyl)ethyl]octan-1-amine
CID 54807415
N-[1-(2-butoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 54804468
3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115704472
N-[1-(2-pentoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 54804469
1-(2-heptoxyphenyl)-N-(2-phenylethyl)ethanamine
CID 54804755
N-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115715454
1-(2-hexoxyphenyl)-N-(2-phenylethyl)ethanamine
CID 54804864
N-[1-[2-(2-phenylethoxy)phenyl]ethyl]octan-1-amine
CID 54807556
(1R)-1-(2-methoxyphenyl)-N-(2-propoxyethyl)ethanamine
CID 106452312
(1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine
CID 104562658
N-(2-butoxyethyl)-1-[2-(difluoromethoxy)phenyl]ethanamine
CID 61169297
1-(2-heptoxyphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 54807811

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of (1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine (CID 100556304) is (1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for (1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine is CCCCOc1ccccc1[C@H](C)NCCOC.
What is the InChIKey of (1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is JFELRCZDELFMCJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-5-11-18-15-9-7-6-8-14(15)13(2)16-10-12-17-3/h6-9,13,16H,4-5,10-12H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine?
(1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 100556304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).