N,N-dibenzyl-3-fluorobutan-1-amine

C18H22FN — CID 146026294

IUPACN,N-dibenzyl-3-fluorobutan-1-amine
SMILESCC(F)CCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H22FN/c1-16(19)12-13-20(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3
InChIKeyRCUUEAHXBGDSHT-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.44
Rot. Bonds7

About N,N-dibenzyl-3-fluorobutan-1-amine

N,N-dibenzyl-3-fluorobutan-1-amine (PubChem CID 146026294) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N,N-dibenzyl-3-fluorobutan-1-amine.

Molecular Properties

Compound NameN,N-dibenzyl-3-fluorobutan-1-amine
PubChem CID146026294
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN,N-dibenzyl-3-fluorobutan-1-amine
SMILESCC(F)CCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H22FN/c1-16(19)12-13-20(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3
InChIKeyRCUUEAHXBGDSHT-UHFFFAOYSA-N
XLogP4.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,1-N-dibenzyl-4,4-dimethylpentane-1,3-diamine
CID 82171517
N,N-dibenzylpropan-1-amine
CID 10840212
N-benzyl-N-butyl-3-methylbutan-1-amine
CID 21355603
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
N-benzyl-N-(2-bromoethyl)propan-2-amine
CID 61289329
N,N-dibenzyl-3-propan-2-yloxypropan-1-amine
CID 112820656
N-benzyl-2-bromo-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 80680300
N-[(4-methoxyphenyl)methyl]-3-methyl-N-(2-phenylethyl)butan-1-amine
CID 175631821
N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591
2-[[(3R)-3-aminobutyl]-benzylamino]acetic acid
CID 156632767
(2R)-N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine
CID 122216645
4-(dibenzylamino)-2-ethoxybutanoic acid
CID 130158595

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-fluorobutan-1-amine?
The IUPAC name of N,N-dibenzyl-3-fluorobutan-1-amine (CID 146026294) is N,N-dibenzyl-3-fluorobutan-1-amine.
What is the SMILES notation for N,N-dibenzyl-3-fluorobutan-1-amine?
The canonical SMILES for N,N-dibenzyl-3-fluorobutan-1-amine is CC(F)CCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-3-fluorobutan-1-amine?
The InChIKey is RCUUEAHXBGDSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-16(19)12-13-20(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3.
What are the key properties of N,N-dibenzyl-3-fluorobutan-1-amine?
N,N-dibenzyl-3-fluorobutan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-fluorobutan-1-amine is sourced from PubChem (CID 146026294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).