N-[1-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethyl]propan-1-amine

C18H30N2O — CID 61493819

IUPACN-[1-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(OCCCN2CCCC2)c1
InChIInChI=1S/C18H30N2O/c1-3-10-19-16(2)17-8-6-9-18(15-17)21-14-7-13-20-11-4-5-12-20/h6,8-9,15-16,19H,3-5,7,10-14H2,1-2H3
InChIKeyYXSFURYVAIFOTQ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.61
Rot. Bonds9

About N-[1-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethyl]propan-1-amine

N-[1-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethyl]propan-1-amine (PubChem CID 61493819) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[1-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethyl]propan-1-amine
PubChem CID61493819
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[1-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(OCCCN2CCCC2)c1
InChIInChI=1S/C18H30N2O/c1-3-10-19-16(2)17-8-6-9-18(15-17)21-14-7-13-20-11-4-5-12-20/h6,8-9,15-16,19H,3-5,7,10-14H2,1-2H3
InChIKeyYXSFURYVAIFOTQ-UHFFFAOYSA-N
XLogP3.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657976
N-[1-[3-(3-ethoxypropoxy)phenyl]ethyl]propan-1-amine
CID 65176727
N-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 60883623
N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]propan-1-amine
CID 43280026
1-[3-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43203420
N-ethyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
CID 82888041
1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine
CID 869541
(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
CID 93007499
N-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203840
N-[1-(3-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203896
(1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 78934419
N-[1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60888002

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethyl]propan-1-amine (CID 61493819) is N-[1-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethyl]propan-1-amine is CCCNC(C)c1cccc(OCCCN2CCCC2)c1.
What is the InChIKey of N-[1-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is YXSFURYVAIFOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-10-19-16(2)17-8-6-9-18(15-17)21-14-7-13-20-11-4-5-12-20/h6,8-9,15-16,19H,3-5,7,10-14H2,1-2H3.
What are the key properties of N-[1-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethyl]propan-1-amine?
N-[1-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 61493819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).