(1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine

C16H17N3O — CID 94189098

IUPAC(1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
SMILESCn1ccnc1[C@H](NCc1ccco1)c1ccccc1
InChIInChI=1S/C16H17N3O/c1-19-10-9-17-16(19)15(13-6-3-2-4-7-13)18-12-14-8-5-11-20-14/h2-11,15,18H,12H2,1H3/t15-/m1/s1
InChIKeyDDGUQXWDUDWVAD-OAHLLOKOSA-N
MW267.33 g/mol
LogP2.89
Rot. Bonds5

About (1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine

(1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine (PubChem CID 94189098) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is (1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine.

Molecular Properties

Compound Name(1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
PubChem CID94189098
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name(1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
SMILESCn1ccnc1[C@H](NCc1ccco1)c1ccccc1
InChIInChI=1S/C16H17N3O/c1-19-10-9-17-16(19)15(13-6-3-2-4-7-13)18-12-14-8-5-11-20-14/h2-11,15,18H,12H2,1H3/t15-/m1/s1
InChIKeyDDGUQXWDUDWVAD-OAHLLOKOSA-N
XLogP2.89
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 94193703
N-(furan-2-ylmethyl)-1,1-diphenylmethanamine
CID 15830516
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 95188898
(1R)-N-(furan-2-ylmethyl)-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 95567515
(1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 92854408
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine
CID 60913950
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61284438
(1R)-1-(1-methylimidazol-2-yl)-1-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 92854396
N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline
CID 12062920
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 47613943
[3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105308202
(1R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 92854374

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine?
The IUPAC name of (1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine (CID 94189098) is (1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine.
What is the SMILES notation for (1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine?
The canonical SMILES for (1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine is Cn1ccnc1[C@H](NCc1ccco1)c1ccccc1.
What is the InChIKey of (1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine?
The InChIKey is DDGUQXWDUDWVAD-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19-10-9-17-16(19)15(13-6-3-2-4-7-13)18-12-14-8-5-11-20-14/h2-11,15,18H,12H2,1H3/t15-/m1/s1.
What are the key properties of (1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine?
(1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine has a molecular weight of 267.33 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine is sourced from PubChem (CID 94189098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).