N-[(3-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C16H25FN2 — CID 106605110

IUPACN-[(3-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCC(C)CN(Cc1cccc(F)c1)CC1CCCN1
InChIInChI=1S/C16H25FN2/c1-13(2)10-19(12-16-7-4-8-18-16)11-14-5-3-6-15(17)9-14/h3,5-6,9,13,16,18H,4,7-8,10-12H2,1-2H3
InChIKeyVEULUPCRNBILNQ-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.04
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

N-[(3-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106605110) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106605110
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[(3-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCC(C)CN(Cc1cccc(F)c1)CC1CCCN1
InChIInChI=1S/C16H25FN2/c1-13(2)10-19(12-16-7-4-8-18-16)11-14-5-3-6-15(17)9-14/h3,5-6,9,13,16,18H,4,7-8,10-12H2,1-2H3
InChIKeyVEULUPCRNBILNQ-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731958
N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605191
4-fluoro-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 107699282
N-[(2-bromo-4-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617279
N-[(4-chlorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605569
N-[(4-iodophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617091
N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605289
N-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605404
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 61378673
N-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621509
N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605408
N-[[3-(difluoromethyl)phenyl]methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605874

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106605110) is N-[(3-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CC(C)CN(Cc1cccc(F)c1)CC1CCCN1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is VEULUPCRNBILNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-13(2)10-19(12-16-7-4-8-18-16)11-14-5-3-6-15(17)9-14/h3,5-6,9,13,16,18H,4,7-8,10-12H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
N-[(3-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106605110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).