N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]propan-1-amine

C15H26N2O — CID 43280026

IUPACN-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(OCCN(C)C)c1
InChIInChI=1S/C15H26N2O/c1-5-9-16-13(2)14-7-6-8-15(12-14)18-11-10-17(3)4/h6-8,12-13,16H,5,9-11H2,1-4H3
InChIKeyRYBJFBQLAIADMD-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.69
Rot. Bonds8

About N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]propan-1-amine

N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]propan-1-amine (PubChem CID 43280026) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]propan-1-amine
PubChem CID43280026
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(OCCN(C)C)c1
InChIInChI=1S/C15H26N2O/c1-5-9-16-13(2)14-7-6-8-15(12-14)18-11-10-17(3)4/h6-8,12-13,16H,5,9-11H2,1-4H3
InChIKeyRYBJFBQLAIADMD-UHFFFAOYSA-N
XLogP2.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(3-ethoxypropoxy)phenyl]ethyl]propan-1-amine
CID 65176727
N-[1-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethyl]propan-1-amine
CID 61493819
(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
CID 93007499
N-[(1S)-1-(3-ethoxyphenyl)ethyl]butan-1-amine
CID 99695653
2,3-dimethyl-1-[3-[1-(propylamino)ethyl]phenoxy]butan-2-ol
CID 114491732
N-[1-(3-but-3-en-2-yloxyphenyl)ethyl]propan-1-amine
CID 62389853
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
N,N-dimethyl-3-[2-methyl-4-[1-(propylamino)ethyl]phenoxy]propan-1-amine
CID 114524933
N-(2-methoxyethyl)-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide
CID 61487649
N-[1-(3-pyridin-3-yloxyphenyl)ethyl]propan-1-amine
CID 79168443
3-[3-[1-(ethylamino)ethyl]phenoxy]-N,N-dimethylpropanamide
CID 54879287
N-[1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60887619

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]propan-1-amine (CID 43280026) is N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]propan-1-amine is CCCNC(C)c1cccc(OCCN(C)C)c1.
What is the InChIKey of N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]propan-1-amine?
The InChIKey is RYBJFBQLAIADMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-9-16-13(2)14-7-6-8-15(12-14)18-11-10-17(3)4/h6-8,12-13,16H,5,9-11H2,1-4H3.
What are the key properties of N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]propan-1-amine?
N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]propan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 43280026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).