N-(1,1-difluoropropan-2-yl)-4-(pyrrolidin-1-ylmethyl)aniline

C14H20F2N2 — CID 102868409

IUPACN-(1,1-difluoropropan-2-yl)-4-(pyrrolidin-1-ylmethyl)aniline
SMILESCC(Nc1ccc(CN2CCCC2)cc1)C(F)F
InChIInChI=1S/C14H20F2N2/c1-11(14(15)16)17-13-6-4-12(5-7-13)10-18-8-2-3-9-18/h4-7,11,14,17H,2-3,8-10H2,1H3
InChIKeyXOWHDZOLXJZQPH-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.35
Rot. Bonds5

About N-(1,1-difluoropropan-2-yl)-4-(pyrrolidin-1-ylmethyl)aniline

N-(1,1-difluoropropan-2-yl)-4-(pyrrolidin-1-ylmethyl)aniline (PubChem CID 102868409) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-4-(pyrrolidin-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-4-(pyrrolidin-1-ylmethyl)aniline
PubChem CID102868409
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC NameN-(1,1-difluoropropan-2-yl)-4-(pyrrolidin-1-ylmethyl)aniline
SMILESCC(Nc1ccc(CN2CCCC2)cc1)C(F)F
InChIInChI=1S/C14H20F2N2/c1-11(14(15)16)17-13-6-4-12(5-7-13)10-18-8-2-3-9-18/h4-7,11,14,17H,2-3,8-10H2,1H3
InChIKeyXOWHDZOLXJZQPH-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-methylheptan-3-yl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 43684561
4-(morpholin-4-ylmethyl)-N-propan-2-ylaniline
CID 28716282
N-methyl-4-(piperidin-1-ylmethyl)aniline
CID 18319987
1-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propane-1,2-diamine
CID 83961012
2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 103602575
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62438547
N-(3-methoxybutan-2-yl)-4-(morpholin-4-ylmethyl)aniline
CID 115928397
2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
methyl 2-[4-(pyrrolidin-1-ylmethyl)anilino]butanoate
CID 115352542
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]propan-2-amine
CID 105346654
2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 62639474

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-4-(pyrrolidin-1-ylmethyl)aniline?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-4-(pyrrolidin-1-ylmethyl)aniline (CID 102868409) is N-(1,1-difluoropropan-2-yl)-4-(pyrrolidin-1-ylmethyl)aniline.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-4-(pyrrolidin-1-ylmethyl)aniline?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-4-(pyrrolidin-1-ylmethyl)aniline is CC(Nc1ccc(CN2CCCC2)cc1)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-4-(pyrrolidin-1-ylmethyl)aniline?
The InChIKey is XOWHDZOLXJZQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-11(14(15)16)17-13-6-4-12(5-7-13)10-18-8-2-3-9-18/h4-7,11,14,17H,2-3,8-10H2,1H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-4-(pyrrolidin-1-ylmethyl)aniline?
N-(1,1-difluoropropan-2-yl)-4-(pyrrolidin-1-ylmethyl)aniline has a molecular weight of 254.32 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-4-(pyrrolidin-1-ylmethyl)aniline is sourced from PubChem (CID 102868409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).