N-[1-[1-[(3-methylphenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine

C17H24N2 — CID 79098824

IUPACN-[1-[1-[(3-methylphenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccn(Cc2cccc(C)c2)c1
InChIInChI=1S/C17H24N2/c1-4-9-18-15(3)17-8-10-19(13-17)12-16-7-5-6-14(2)11-16/h5-8,10-11,13,15,18H,4,9,12H2,1-3H3
InChIKeyMTSVFCMUWTXCAQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.91
Rot. Bonds6

About N-[1-[1-[(3-methylphenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine

N-[1-[1-[(3-methylphenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine (PubChem CID 79098824) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[1-[1-[(3-methylphenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(3-methylphenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
PubChem CID79098824
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-[1-[1-[(3-methylphenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccn(Cc2cccc(C)c2)c1
InChIInChI=1S/C17H24N2/c1-4-9-18-15(3)17-8-10-19(13-17)12-16-7-5-6-14(2)11-16/h5-8,10-11,13,15,18H,4,9,12H2,1-3H3
InChIKeyMTSVFCMUWTXCAQ-UHFFFAOYSA-N
XLogP3.91
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-[1-[(3-methylphenyl)methyl]pyrrol-3-yl]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-[1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79099452
N-[1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79098261
N-[1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79099161
N-[cyclopropyl-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79098566
N-[1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]ethyl]propan-1-amine
CID 79099254
N-[1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine
CID 79098937
N-propyl-1-[1-(pyridin-3-ylmethyl)pyrrol-3-yl]butan-1-amine
CID 79109290
1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 63477985
N-[1-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62732148
N-ethyl-1-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097640
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
N-[1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79099776

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(3-methylphenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(3-methylphenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine (CID 79098824) is N-[1-[1-[(3-methylphenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(3-methylphenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(3-methylphenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine is CCCNC(C)c1ccn(Cc2cccc(C)c2)c1.
What is the InChIKey of N-[1-[1-[(3-methylphenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine?
The InChIKey is MTSVFCMUWTXCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-4-9-18-15(3)17-8-10-19(13-17)12-16-7-5-6-14(2)11-16/h5-8,10-11,13,15,18H,4,9,12H2,1-3H3.
What are the key properties of N-[1-[1-[(3-methylphenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine?
N-[1-[1-[(3-methylphenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(3-methylphenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79098824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).