4-(2-aminopropyl)-N-(furan-2-ylmethyl)-N,2-dimethylaniline

C16H22N2O — CID 63786459

IUPAC4-(2-aminopropyl)-N-(furan-2-ylmethyl)-N,2-dimethylaniline
SMILESCc1cc(CC(C)N)ccc1N(C)Cc1ccco1
InChIInChI=1S/C16H22N2O/c1-12-9-14(10-13(2)17)6-7-16(12)18(3)11-15-5-4-8-19-15/h4-9,13H,10-11,17H2,1-3H3
InChIKeyVSHIGDYOSOLMHS-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.11
Rot. Bonds5

About 4-(2-aminopropyl)-N-(furan-2-ylmethyl)-N,2-dimethylaniline

4-(2-aminopropyl)-N-(furan-2-ylmethyl)-N,2-dimethylaniline (PubChem CID 63786459) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-(furan-2-ylmethyl)-N,2-dimethylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-(furan-2-ylmethyl)-N,2-dimethylaniline
PubChem CID63786459
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name4-(2-aminopropyl)-N-(furan-2-ylmethyl)-N,2-dimethylaniline
SMILESCc1cc(CC(C)N)ccc1N(C)Cc1ccco1
InChIInChI=1S/C16H22N2O/c1-12-9-14(10-13(2)17)6-7-16(12)18(3)11-15-5-4-8-19-15/h4-9,13H,10-11,17H2,1-3H3
InChIKeyVSHIGDYOSOLMHS-UHFFFAOYSA-N
XLogP3.11
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 62121867
4-(2-aminopropyl)-2,6-difluoro-N-(furan-2-ylmethyl)-N-methylaniline
CID 63786304
4-(2-aminopropyl)-N,N,2-trimethylaniline
CID 3043622
4-[furan-2-ylmethyl(methyl)amino]-3-methylbenzonitrile
CID 54934467
4-(2-aminopropyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 81165610
4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63816026
4-(2-aminopropyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 63794010
4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 63785927
4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline
CID 63786126
4-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline
CID 55236420
4-(2-aminopropyl)-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)aniline
CID 63815482
2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline
CID 81149232

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-(furan-2-ylmethyl)-N,2-dimethylaniline?
The IUPAC name of 4-(2-aminopropyl)-N-(furan-2-ylmethyl)-N,2-dimethylaniline (CID 63786459) is 4-(2-aminopropyl)-N-(furan-2-ylmethyl)-N,2-dimethylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-(furan-2-ylmethyl)-N,2-dimethylaniline?
The canonical SMILES for 4-(2-aminopropyl)-N-(furan-2-ylmethyl)-N,2-dimethylaniline is Cc1cc(CC(C)N)ccc1N(C)Cc1ccco1.
What is the InChIKey of 4-(2-aminopropyl)-N-(furan-2-ylmethyl)-N,2-dimethylaniline?
The InChIKey is VSHIGDYOSOLMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-9-14(10-13(2)17)6-7-16(12)18(3)11-15-5-4-8-19-15/h4-9,13H,10-11,17H2,1-3H3.
What are the key properties of 4-(2-aminopropyl)-N-(furan-2-ylmethyl)-N,2-dimethylaniline?
4-(2-aminopropyl)-N-(furan-2-ylmethyl)-N,2-dimethylaniline has a molecular weight of 258.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-(furan-2-ylmethyl)-N,2-dimethylaniline is sourced from PubChem (CID 63786459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).