3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline

C14H18N2O — CID 61426758

IUPAC3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline
SMILESCc1occc1CN(C)Cc1cccc(N)c1
InChIInChI=1S/C14H18N2O/c1-11-13(6-7-17-11)10-16(2)9-12-4-3-5-14(15)8-12/h3-8H,9-10,15H2,1-2H3
InChIKeyUPMFLRSQNISKSZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.80
Rot. Bonds4

About 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline

3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline (PubChem CID 61426758) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline.

Molecular Properties

Compound Name3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline
PubChem CID61426758
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline
SMILESCc1occc1CN(C)Cc1cccc(N)c1
InChIInChI=1S/C14H18N2O/c1-11-13(6-7-17-11)10-16(2)9-12-4-3-5-14(15)8-12/h3-8H,9-10,15H2,1-2H3
InChIKeyUPMFLRSQNISKSZ-UHFFFAOYSA-N
XLogP2.80
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-5-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline
CID 112646011
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzonitrile
CID 61370835
[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine
CID 61426662
3-[1-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]aniline
CID 61426613
4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-3-(trifluoromethyl)aniline
CID 81116722
3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426906
3-[[(5-ethylthiophen-2-yl)methyl-methylamino]methyl]aniline
CID 43383747
4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pyridine-2-carbothioamide
CID 63880713
3-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]aniline
CID 43457980
N-methyl-1-[3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine
CID 62413219
2-(3-aminophenoxy)-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 61426808

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline?
The IUPAC name of 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline (CID 61426758) is 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline.
What is the SMILES notation for 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline?
The canonical SMILES for 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline is Cc1occc1CN(C)Cc1cccc(N)c1.
What is the InChIKey of 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline?
The InChIKey is UPMFLRSQNISKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-13(6-7-17-11)10-16(2)9-12-4-3-5-14(15)8-12/h3-8H,9-10,15H2,1-2H3.
What are the key properties of 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline?
3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline has a molecular weight of 230.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline is sourced from PubChem (CID 61426758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).