N-[(2-fluoro-5-methylphenyl)methyl]-3-pyrrolidin-1-ylaniline

C18H21FN2 — CID 103818774

IUPACN-[(2-fluoro-5-methylphenyl)methyl]-3-pyrrolidin-1-ylaniline
SMILESCc1ccc(F)c(CNc2cccc(N3CCCC3)c2)c1
InChIInChI=1S/C18H21FN2/c1-14-7-8-18(19)15(11-14)13-20-16-5-4-6-17(12-16)21-9-2-3-10-21/h4-8,11-12,20H,2-3,9-10,13H2,1H3
InChIKeyPYGOWMVMRKNSKI-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.35
Rot. Bonds4

About N-[(2-fluoro-5-methylphenyl)methyl]-3-pyrrolidin-1-ylaniline

N-[(2-fluoro-5-methylphenyl)methyl]-3-pyrrolidin-1-ylaniline (PubChem CID 103818774) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)methyl]-3-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)methyl]-3-pyrrolidin-1-ylaniline
PubChem CID103818774
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC NameN-[(2-fluoro-5-methylphenyl)methyl]-3-pyrrolidin-1-ylaniline
SMILESCc1ccc(F)c(CNc2cccc(N3CCCC3)c2)c1
InChIInChI=1S/C18H21FN2/c1-14-7-8-18(19)15(11-14)13-20-16-5-4-6-17(12-16)21-9-2-3-10-21/h4-8,11-12,20H,2-3,9-10,13H2,1H3
InChIKeyPYGOWMVMRKNSKI-UHFFFAOYSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 60943058
N-[(5-chloro-2-fluorophenyl)methyl]-4-pyrrolidin-1-ylaniline
CID 115761922
1-(2-fluoro-5-pyrrolidin-1-ylphenyl)-N-methylmethanamine
CID 84750840
N-(3-methylbutyl)-3-pyrrolidin-1-ylaniline
CID 54864439
4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053753
N-[(4-bromo-3-methylphenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 66472010
3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053885
N-[(3-bromophenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 60943060
N-(furan-3-ylmethyl)-3-pyrrolidin-1-ylaniline
CID 63204829
N-[(2-methylpyrazol-3-yl)methyl]-3-pyrrolidin-1-ylaniline
CID 54864487
2-fluoro-5-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43772755
4-fluoro-3-[(3-methylanilino)methyl]benzonitrile
CID 28564272

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-3-pyrrolidin-1-ylaniline?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-3-pyrrolidin-1-ylaniline (CID 103818774) is N-[(2-fluoro-5-methylphenyl)methyl]-3-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)methyl]-3-pyrrolidin-1-ylaniline?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)methyl]-3-pyrrolidin-1-ylaniline is Cc1ccc(F)c(CNc2cccc(N3CCCC3)c2)c1.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)methyl]-3-pyrrolidin-1-ylaniline?
The InChIKey is PYGOWMVMRKNSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-14-7-8-18(19)15(11-14)13-20-16-5-4-6-17(12-16)21-9-2-3-10-21/h4-8,11-12,20H,2-3,9-10,13H2,1H3.
What are the key properties of N-[(2-fluoro-5-methylphenyl)methyl]-3-pyrrolidin-1-ylaniline?
N-[(2-fluoro-5-methylphenyl)methyl]-3-pyrrolidin-1-ylaniline has a molecular weight of 284.38 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methylphenyl)methyl]-3-pyrrolidin-1-ylaniline is sourced from PubChem (CID 103818774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).