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

C18H17F2N3 — CID 92854425

IUPAC(1S)-1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine
SMILESCn1ccnc1[C@@H](NCc1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C18H17F2N3/c1-23-9-8-21-18(23)17(14-5-3-7-16(20)11-14)22-12-13-4-2-6-15(19)10-13/h2-11,17,22H,12H2,1H3/t17-/m0/s1
InChIKeyXPNROSFXWPAMSY-KRWDZBQOSA-N
MW313.35 g/mol
LogP3.58
Rot. Bonds5

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

(1S)-1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine (PubChem CID 92854425) has the molecular formula C18H17F2N3 and a molecular weight of 313.35 g/mol. Its IUPAC name is (1S)-1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(1S)-1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine
PubChem CID92854425
Molecular FormulaC18H17F2N3
Molecular Weight313.35 g/mol
Exact Mass313.14
IUPAC Name(1S)-1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine
SMILESCn1ccnc1[C@@H](NCc1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C18H17F2N3/c1-23-9-8-21-18(23)17(14-5-3-7-16(20)11-14)22-12-13-4-2-6-15(19)10-13/h2-11,17,22H,12H2,1H3/t17-/m0/s1
InChIKeyXPNROSFXWPAMSY-KRWDZBQOSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]methanamine
CID 94193697
1-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]propan-2-ol
CID 110022496
(1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 92854408
1-(4-fluorophenyl)-2-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 110883509
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 95188898
N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61317740
2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol
CID 63976213
2-(3-fluorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40952505
2,6-dichloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541169
N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 16675064
2-(4-chlorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 17403799
N-[(2,4-difluorophenyl)methyl]-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 47030534

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of (1S)-1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine (CID 92854425) is (1S)-1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for (1S)-1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for (1S)-1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine is Cn1ccnc1[C@@H](NCc1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of (1S)-1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine?
The InChIKey is XPNROSFXWPAMSY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H17F2N3/c1-23-9-8-21-18(23)17(14-5-3-7-16(20)11-14)22-12-13-4-2-6-15(19)10-13/h2-11,17,22H,12H2,1H3/t17-/m0/s1.
What are the key properties of (1S)-1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine?
(1S)-1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine has a molecular weight of 313.35 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 92854425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).