2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine

C18H24FNO — CID 62998868

IUPAC2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(Cc1cccc(F)c1)Cc1ccco1
InChIInChI=1S/C18H24FNO/c1-14(2)12-20-13-16(11-18-7-4-8-21-18)9-15-5-3-6-17(19)10-15/h3-8,10,14,16,20H,9,11-13H2,1-2H3
InChIKeyAKAQZPZPJNHLNR-UHFFFAOYSA-N
MW289.39 g/mol
LogP4.07
Rot. Bonds8

About 2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine

2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine (PubChem CID 62998868) has the molecular formula C18H24FNO and a molecular weight of 289.39 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine
PubChem CID62998868
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC Name2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(Cc1cccc(F)c1)Cc1ccco1
InChIInChI=1S/C18H24FNO/c1-14(2)12-20-13-16(11-18-7-4-8-21-18)9-15-5-3-6-17(19)10-15/h3-8,10,14,16,20H,9,11-13H2,1-2H3
InChIKeyAKAQZPZPJNHLNR-UHFFFAOYSA-N
XLogP4.07
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine
CID 62998676
2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 63521934
N-[2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)propyl]cyclopropanamine
CID 62998866
1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine
CID 115634120
2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine
CID 62999421
2-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)-4-phenylmethoxybutan-1-amine
CID 112752307
2-[(3-fluorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83138561
2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-N-propylpropan-1-amine
CID 62999781
2-benzyl-N-(2-methylpropyl)-3-phenylpropan-1-amine
CID 63496022
1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 104979819
2-[(3-fluorophenyl)methyl]-3-(furan-3-yl)-N-methylpropan-1-amine
CID 83182297
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine (CID 62998868) is 2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine is CC(C)CNCC(Cc1cccc(F)c1)Cc1ccco1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine?
The InChIKey is AKAQZPZPJNHLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c1-14(2)12-20-13-16(11-18-7-4-8-21-18)9-15-5-3-6-17(19)10-15/h3-8,10,14,16,20H,9,11-13H2,1-2H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine?
2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine has a molecular weight of 289.39 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 62998868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).