N-[[5-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]propan-2-amine

C18H25NO — CID 106888608

IUPACN-[[5-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)Cc1ccc(-c2ccc(CNC(C)C)o2)cc1
InChIInChI=1S/C18H25NO/c1-13(2)11-15-5-7-16(8-6-15)18-10-9-17(20-18)12-19-14(3)4/h5-10,13-14,19H,11-12H2,1-4H3
InChIKeyGGGXQHZRNHFORF-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.64
Rot. Bonds6

About N-[[5-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]propan-2-amine

N-[[5-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 106888608) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[[5-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]propan-2-amine
PubChem CID106888608
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[[5-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]propan-2-amine
SMILESCC(C)Cc1ccc(-c2ccc(CNC(C)C)o2)cc1
InChIInChI=1S/C18H25NO/c1-13(2)11-15-5-7-16(8-6-15)18-10-9-17(20-18)12-19-14(3)4/h5-10,13-14,19H,11-12H2,1-4H3
InChIKeyGGGXQHZRNHFORF-UHFFFAOYSA-N
XLogP4.64
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(4-butylphenyl)furan-2-yl]methyl]propan-2-amine
CID 43624940
1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
CID 17156433
N-[[5-(4-bromo-3-fluorophenyl)furan-2-yl]methyl]propan-2-amine
CID 65435627
N-[(5-quinoxalin-6-ylfuran-2-yl)methyl]propan-2-amine
CID 60961490
N-[[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]methyl]propan-2-amine
CID 107577096
N-[(5-pyridin-3-ylfuran-2-yl)methyl]propan-2-amine
CID 103625236
N-[[5-(4-methoxy-3-methylphenyl)furan-2-yl]methyl]propan-2-amine
CID 106888703
N-[[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 107622707
N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 107289724
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-5-methylhexan-2-amine
CID 43080703
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-2-amine
CID 4723768
5-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carbaldehyde
CID 169332974

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]propan-2-amine (CID 106888608) is N-[[5-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]propan-2-amine is CC(C)Cc1ccc(-c2ccc(CNC(C)C)o2)cc1.
What is the InChIKey of N-[[5-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is GGGXQHZRNHFORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-13(2)11-15-5-7-16(8-6-15)18-10-9-17(20-18)12-19-14(3)4/h5-10,13-14,19H,11-12H2,1-4H3.
What are the key properties of N-[[5-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]propan-2-amine?
N-[[5-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 271.40 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106888608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).