N-(furan-3-ylmethyl)-4-(3-methylphenyl)butan-2-amine

C16H21NO — CID 115711448

IUPACN-(furan-3-ylmethyl)-4-(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(C)NCc2ccoc2)c1
InChIInChI=1S/C16H21NO/c1-13-4-3-5-15(10-13)7-6-14(2)17-11-16-8-9-18-12-16/h3-5,8-10,12,14,17H,6-7,11H2,1-2H3
InChIKeyHBDRFMDQBHWORG-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.70
Rot. Bonds6

About N-(furan-3-ylmethyl)-4-(3-methylphenyl)butan-2-amine

N-(furan-3-ylmethyl)-4-(3-methylphenyl)butan-2-amine (PubChem CID 115711448) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-4-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-4-(3-methylphenyl)butan-2-amine
PubChem CID115711448
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-(furan-3-ylmethyl)-4-(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(C)NCc2ccoc2)c1
InChIInChI=1S/C16H21NO/c1-13-4-3-5-15(10-13)7-6-14(2)17-11-16-8-9-18-12-16/h3-5,8-10,12,14,17H,6-7,11H2,1-2H3
InChIKeyHBDRFMDQBHWORG-UHFFFAOYSA-N
XLogP3.70
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 64680088
4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine
CID 61169939
N-[(3,4-difluorophenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 63455010
1-(furan-3-yl)-4-(3-methylphenyl)butan-2-amine
CID 105177799
[1-(furan-3-yl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105331898
N-(furan-3-ylmethyl)-5-methylhexan-2-amine
CID 62997685
4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine
CID 61171888
3-[(3-methylphenyl)methylamino]butan-1-ol
CID 78997783
4-(3-methylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine
CID 79230814

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-4-(3-methylphenyl)butan-2-amine?
The IUPAC name of N-(furan-3-ylmethyl)-4-(3-methylphenyl)butan-2-amine (CID 115711448) is N-(furan-3-ylmethyl)-4-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-4-(3-methylphenyl)butan-2-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-4-(3-methylphenyl)butan-2-amine is Cc1cccc(CCC(C)NCc2ccoc2)c1.
What is the InChIKey of N-(furan-3-ylmethyl)-4-(3-methylphenyl)butan-2-amine?
The InChIKey is HBDRFMDQBHWORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-13-4-3-5-15(10-13)7-6-14(2)17-11-16-8-9-18-12-16/h3-5,8-10,12,14,17H,6-7,11H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-4-(3-methylphenyl)butan-2-amine?
N-(furan-3-ylmethyl)-4-(3-methylphenyl)butan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-4-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 115711448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).