N,N-diethyl-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]aniline

C17H24N2O — CID 81403321

IUPACN,N-diethyl-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]aniline
SMILESCCN(CC)c1ccc(CN[C@H](C)c2ccco2)cc1
InChIInChI=1S/C17H24N2O/c1-4-19(5-2)16-10-8-15(9-11-16)13-18-14(3)17-7-6-12-20-17/h6-12,14,18H,4-5,13H2,1-3H3/t14-/m1/s1
InChIKeyMQWFRMNIPFAQKJ-CQSZACIVSA-N
MW272.39 g/mol
LogP3.98
Rot. Bonds7

About N,N-diethyl-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]aniline

N,N-diethyl-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]aniline (PubChem CID 81403321) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N,N-diethyl-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]aniline
PubChem CID81403321
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN,N-diethyl-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]aniline
SMILESCCN(CC)c1ccc(CN[C@H](C)c2ccco2)cc1
InChIInChI=1S/C17H24N2O/c1-4-19(5-2)16-10-8-15(9-11-16)13-18-14(3)17-7-6-12-20-17/h6-12,14,18H,4-5,13H2,1-3H3/t14-/m1/s1
InChIKeyMQWFRMNIPFAQKJ-CQSZACIVSA-N
XLogP3.98
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43178684
1-(furan-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437580
(1S)-N-[(4-cyclopropylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403532
4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline
CID 40649734
N-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 115692983
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403339
(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-yl)ethanamine
CID 28643569
(1R)-1-(furan-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
CID 81391853
(1R)-1-(furan-2-yl)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
CID 81392851
(1R)-1-(furan-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 81402794
N,N-diethyl-4-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]aniline
CID 28655943
[3-[[1-(furan-2-yl)ethylamino]methyl]phenyl]methanol
CID 103781809

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]aniline?
The IUPAC name of N,N-diethyl-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]aniline (CID 81403321) is N,N-diethyl-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]aniline?
The canonical SMILES for N,N-diethyl-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]aniline is CCN(CC)c1ccc(CN[C@H](C)c2ccco2)cc1.
What is the InChIKey of N,N-diethyl-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]aniline?
The InChIKey is MQWFRMNIPFAQKJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-19(5-2)16-10-8-15(9-11-16)13-18-14(3)17-7-6-12-20-17/h6-12,14,18H,4-5,13H2,1-3H3/t14-/m1/s1.
What are the key properties of N,N-diethyl-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]aniline?
N,N-diethyl-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]aniline has a molecular weight of 272.39 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]aniline is sourced from PubChem (CID 81403321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).