N-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine

C17H29NO3 — CID 115715454

IUPACN-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
SMILESCCOc1ccccc1C(C)NCCCCOCCOC
InChIInChI=1S/C17H29NO3/c1-4-21-17-10-6-5-9-16(17)15(2)18-11-7-8-12-20-14-13-19-3/h5-6,9-10,15,18H,4,7-8,11-14H2,1-3H3
InChIKeyTYZAGVXMWHDGCD-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.18
Rot. Bonds12

About N-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine

N-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine (PubChem CID 115715454) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine.

Molecular Properties

Compound NameN-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
PubChem CID115715454
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
SMILESCCOc1ccccc1C(C)NCCCCOCCOC
InChIInChI=1S/C17H29NO3/c1-4-21-17-10-6-5-9-16(17)15(2)18-11-7-8-12-20-14-13-19-3/h5-6,9-10,15,18H,4,7-8,11-14H2,1-3H3
InChIKeyTYZAGVXMWHDGCD-UHFFFAOYSA-N
XLogP3.18
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115704472
(1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine
CID 104562658
N-[1-(2-hexoxyphenyl)ethyl]octan-1-amine
CID 54807415
5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol
CID 113350527
(1S)-1-(2-butoxyphenyl)-N-(2-methoxyethyl)ethanamine
CID 100556304
3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115890665
4-[1-(2-ethoxyphenyl)ethylamino]butanamide
CID 60864453
5-[1-(2-ethoxyphenyl)ethylamino]pentan-2-ol
CID 107270389
3-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine
CID 132649493
(1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine
CID 103402915
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206881
N-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43770870

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine?
The IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine (CID 115715454) is N-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine.
What is the SMILES notation for N-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine?
The canonical SMILES for N-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine is CCOc1ccccc1C(C)NCCCCOCCOC.
What is the InChIKey of N-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine?
The InChIKey is TYZAGVXMWHDGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-4-21-17-10-6-5-9-16(17)15(2)18-11-7-8-12-20-14-13-19-3/h5-6,9-10,15,18H,4,7-8,11-14H2,1-3H3.
What are the key properties of N-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine?
N-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 3.18, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine is sourced from PubChem (CID 115715454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).