N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine

C16H25FN2 — CID 55081574

IUPACN-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(Cc2ccccc2F)C1
InChIInChI=1S/C16H25FN2/c1-13(2)9-18-10-14-7-8-19(11-14)12-15-5-3-4-6-16(15)17/h3-6,13-14,18H,7-12H2,1-2H3
InChIKeyKHKBJEDJFVMQKO-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.89
Rot. Bonds6

About N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine

N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 55081574) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID55081574
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(Cc2ccccc2F)C1
InChIInChI=1S/C16H25FN2/c1-13(2)9-18-10-14-7-8-19(11-14)12-15-5-3-4-6-16(15)17/h3-6,13-14,18H,7-12H2,1-2H3
InChIKeyKHKBJEDJFVMQKO-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62512223
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512068
N-[[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 114849868
N-[[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62592901
[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 42257335
1-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea
CID 56743428
2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081248
[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrate;dihydrochloride
CID 90647197
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 156595577
N-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62592371
N-[[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 95388374
ethane;1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrate
CID 145081526

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine (CID 55081574) is N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCN(Cc2ccccc2F)C1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is KHKBJEDJFVMQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-13(2)9-18-10-14-7-8-19(11-14)12-15-5-3-4-6-16(15)17/h3-6,13-14,18H,7-12H2,1-2H3.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 55081574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).