N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline

C15H19NO — CID 63099916

IUPACN-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline
SMILESCc1cc(C)cc(NC(C)Cc2ccco2)c1
InChIInChI=1S/C15H19NO/c1-11-7-12(2)9-14(8-11)16-13(3)10-15-5-4-6-17-15/h4-9,13,16H,10H2,1-3H3
InChIKeyKXDRTIIKRWFXMJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.94
Rot. Bonds4

About N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline

N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline (PubChem CID 63099916) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline
PubChem CID63099916
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline
SMILESCc1cc(C)cc(NC(C)Cc2ccco2)c1
InChIInChI=1S/C15H19NO/c1-11-7-12(2)9-14(8-11)16-13(3)10-15-5-4-6-17-15/h4-9,13,16H,10H2,1-3H3
InChIKeyKXDRTIIKRWFXMJ-UHFFFAOYSA-N
XLogP3.94
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]-5-methylpyridin-3-amine
CID 107584649
6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine
CID 81260554
N-[1-(furan-2-yl)propan-2-yl]pyridin-4-amine
CID 61043048
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline
CID 63099420
N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxyaniline
CID 63098725
3-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-(trifluoromethyl)aniline
CID 116698821
2-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 107281770
3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 63098734
6-bromo-N-[1-(furan-2-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 63085271
5-bromo-N-[1-(furan-2-yl)propan-2-yl]-4-methylpyridin-2-amine
CID 115773907
5-fluoro-N-[1-(furan-2-yl)propan-2-yl]-2-methylaniline
CID 63099917

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline (CID 63099916) is N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline is Cc1cc(C)cc(NC(C)Cc2ccco2)c1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline?
The InChIKey is KXDRTIIKRWFXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-7-12(2)9-14(8-11)16-13(3)10-15-5-4-6-17-15/h4-9,13,16H,10H2,1-3H3.
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline?
N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline has a molecular weight of 229.32 g/mol, XLogP of 3.94, 4 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)propan-2-yl]-3,5-dimethylaniline is sourced from PubChem (CID 63099916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).