2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride

C9H16ClNO — CID 86263157

IUPAC2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride
SMILESCc1ccc(C(N)C(C)C)o1.Cl
InChIInChI=1S/C9H15NO.ClH/c1-6(2)9(10)8-5-4-7(3)11-8;/h4-6,9H,10H2,1-3H3;1H
InChIKeyDQFXDKWYYZPHRE-UHFFFAOYSA-N
MW189.69 g/mol
LogP2.67
Rot. Bonds2

About 2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride

2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride (PubChem CID 86263157) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride
PubChem CID86263157
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride
SMILESCc1ccc(C(N)C(C)C)o1.Cl
InChIInChI=1S/C9H15NO.ClH/c1-6(2)9(10)8-5-4-7(3)11-8;/h4-6,9H,10H2,1-3H3;1H
InChIKeyDQFXDKWYYZPHRE-UHFFFAOYSA-N
XLogP2.67
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R)-1-amino-1-(5-methylfuran-2-yl)propan-2-ol
CID 131206305
2-methyl-5-[(2S)-3-methylbutan-2-yl]furan
CID 59302907
1-(5-methylfuran-2-yl)-2-pyridin-4-ylpropan-1-amine
CID 66447737
(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride
CID 171212357
2-(3,3-dimethylbutan-2-yl)-5-methylfuran
CID 77433390
O-[1-(5-methylfuran-2-yl)ethyl]hydroxylamine
CID 117104825
ethane;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
CID 142856729
3-methyl-1-(5-methylfuran-2-yl)pentan-1-amine
CID 114874408
1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride
CID 86262852
N'-methyl-N'-[1-(5-methylfuran-2-yl)ethyl]ethane-1,2-diamine
CID 62682380
2-(5-methylfuran-2-yl)propanenitrile
CID 43316778
2-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]-(5-methylfuran-2-yl)methyl]-5-methylfuran
CID 2751428

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride?
The IUPAC name of 2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride (CID 86263157) is 2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for 2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride?
The canonical SMILES for 2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride is Cc1ccc(C(N)C(C)C)o1.Cl.
What is the InChIKey of 2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride?
The InChIKey is DQFXDKWYYZPHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.ClH/c1-6(2)9(10)8-5-4-7(3)11-8;/h4-6,9H,10H2,1-3H3;1H.
What are the key properties of 2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride?
2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride has a molecular weight of 189.69 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 86263157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).