4-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]aniline

C15H20N2O — CID 61262031

IUPAC4-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]aniline
SMILESCc1ccc(CN(C)C(C)c2ccc(N)cc2)o1
InChIInChI=1S/C15H20N2O/c1-11-4-9-15(18-11)10-17(3)12(2)13-5-7-14(16)8-6-13/h4-9,12H,10,16H2,1-3H3
InChIKeyVKRULVYBFFBDRF-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.36
Rot. Bonds4

About 4-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]aniline

4-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]aniline (PubChem CID 61262031) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]aniline.

Molecular Properties

Compound Name4-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]aniline
PubChem CID61262031
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]aniline
SMILESCc1ccc(CN(C)C(C)c2ccc(N)cc2)o1
InChIInChI=1S/C15H20N2O/c1-11-4-9-15(18-11)10-17(3)12(2)13-5-7-14(16)8-6-13/h4-9,12H,10,16H2,1-3H3
InChIKeyVKRULVYBFFBDRF-UHFFFAOYSA-N
XLogP3.36
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.36
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

N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 71912735
3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]pentane-1,3-diamine
CID 43526109
4-[(1R)-1-aminoethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 78936162
4-[1-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropyl]aniline
CID 115913057
1-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine
CID 62421162
1-(furan-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 63208254
(3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 97159613
1-N,3-N,2-trimethyl-3-N-[(5-methylfuran-2-yl)methyl]butane-1,3-diamine
CID 79408703
1-N-methyl-1-N-[(5-methylfuran-2-yl)methyl]hexane-1,5-diamine
CID 82854049
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine
CID 50969326
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetic acid
CID 43526412
(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960

Frequently Asked Questions

What is the IUPAC name of 4-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]aniline?
The IUPAC name of 4-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]aniline (CID 61262031) is 4-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]aniline.
What is the SMILES notation for 4-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]aniline?
The canonical SMILES for 4-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]aniline is Cc1ccc(CN(C)C(C)c2ccc(N)cc2)o1.
What is the InChIKey of 4-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]aniline?
The InChIKey is VKRULVYBFFBDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-4-9-15(18-11)10-17(3)12(2)13-5-7-14(16)8-6-13/h4-9,12H,10,16H2,1-3H3.
What are the key properties of 4-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]aniline?
4-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]aniline has a molecular weight of 244.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]aniline is sourced from PubChem (CID 61262031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).