N-[(4-tert-butylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine

C19H27NO — CID 43496415

IUPACN-[(4-tert-butylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C(C)(C)C)cc1)c1occc1C
InChIInChI=1S/C19H27NO/c1-6-12-20-17(18-14(2)11-13-21-18)15-7-9-16(10-8-15)19(3,4)5/h7-11,13,17,20H,6,12H2,1-5H3
InChIKeyIQNHGWVHOXFAAK-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.97
Rot. Bonds5

About N-[(4-tert-butylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine

N-[(4-tert-butylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine (PubChem CID 43496415) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine
PubChem CID43496415
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[(4-tert-butylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C(C)(C)C)cc1)c1occc1C
InChIInChI=1S/C19H27NO/c1-6-12-20-17(18-14(2)11-13-21-18)15-7-9-16(10-8-15)19(3,4)5/h7-11,13,17,20H,6,12H2,1-5H3
InChIKeyIQNHGWVHOXFAAK-UHFFFAOYSA-N
XLogP4.97
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104805742
N-[(2-chloro-4,5-dimethylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine
CID 115484217
N-[(2,6-difluorophenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine
CID 104806139
N-[(3-methylfuran-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 104806165
N-[(3-methylfuran-2-yl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302837
N-[(3-bromofuran-2-yl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 115861594
1-(3-methylfuran-2-yl)-N-propylpropan-1-amine
CID 104805698
N-[(4-bromo-3,5-dimethylphenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine
CID 114330770
1-(3-methylfuran-2-yl)-N-propylprop-2-en-1-amine
CID 104805750
N-[(4-cyclobutylphenyl)-(3-methylfuran-2-yl)methyl]ethanamine
CID 116506465
N-[(3-methylfuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104805386
N-[(2-methylfuran-3-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625510

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-tert-butylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine (CID 43496415) is N-[(4-tert-butylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-tert-butylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-tert-butylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(C(C)(C)C)cc1)c1occc1C.
What is the InChIKey of N-[(4-tert-butylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is IQNHGWVHOXFAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-6-12-20-17(18-14(2)11-13-21-18)15-7-9-16(10-8-15)19(3,4)5/h7-11,13,17,20H,6,12H2,1-5H3.
What are the key properties of N-[(4-tert-butylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine?
N-[(4-tert-butylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 285.43 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43496415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).