N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine

C14H21FN2 — CID 79385330

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine
SMILESCC1NCCC1CN(C)Cc1cccc(F)c1
InChIInChI=1S/C14H21FN2/c1-11-13(6-7-16-11)10-17(2)9-12-4-3-5-14(15)8-12/h3-5,8,11,13,16H,6-7,9-10H2,1-2H3
InChIKeyYDXWOBXXQKZSPK-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.26
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine

N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine (PubChem CID 79385330) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine
PubChem CID79385330
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine
SMILESCC1NCCC1CN(C)Cc1cccc(F)c1
InChIInChI=1S/C14H21FN2/c1-11-13(6-7-16-11)10-17(2)9-12-4-3-5-14(15)8-12/h3-5,8,11,13,16H,6-7,9-10H2,1-2H3
InChIKeyYDXWOBXXQKZSPK-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methylpyrrolidin-3-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 79385237
N-[(4-bromophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine
CID 79385037
N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929453
5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 79866448
(2S,4S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621340
2-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-methylcyclohexan-1-one
CID 62612853
N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731958
1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol
CID 111858608
2-[(3-fluorophenyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 82299961
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 79614978
2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 115257984
2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 61286506

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine (CID 79385330) is N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine is CC1NCCC1CN(C)Cc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine?
The InChIKey is YDXWOBXXQKZSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11-13(6-7-16-11)10-17(2)9-12-4-3-5-14(15)8-12/h3-5,8,11,13,16H,6-7,9-10H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine?
N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine has a molecular weight of 236.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 79385330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).