N-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine

C16H21NO — CID 54864150

IUPACN-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1CC(C)NC(C)c1ccco1
InChIInChI=1S/C16H21NO/c1-12-7-4-5-8-15(12)11-13(2)17-14(3)16-9-6-10-18-16/h4-10,13-14,17H,11H2,1-3H3
InChIKeyLLHACVCBTOSROW-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.87
Rot. Bonds5

About N-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine

N-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine (PubChem CID 54864150) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine
PubChem CID54864150
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1CC(C)NC(C)c1ccco1
InChIInChI=1S/C16H21NO/c1-12-7-4-5-8-15(12)11-13(2)17-14(3)16-9-6-10-18-16/h4-10,13-14,17H,11H2,1-3H3
InChIKeyLLHACVCBTOSROW-UHFFFAOYSA-N
XLogP3.87
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
CID 81402655
N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 60943739
4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]propyl]phenol
CID 115494501
N-[1-(4-iodophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 63449736
1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 104979819
3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81400905
(2S)-1-ethylsulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 97070512
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62556302
3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]butan-2-amine
CID 115713787
N-[1-(furan-2-yl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64630530
N-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 113242970
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine (CID 54864150) is N-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine is Cc1ccccc1CC(C)NC(C)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine?
The InChIKey is LLHACVCBTOSROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12-7-4-5-8-15(12)11-13(2)17-14(3)16-9-6-10-18-16/h4-10,13-14,17H,11H2,1-3H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine?
N-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-1-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 54864150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).