(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride

C7H12ClNO — CID 11615221

IUPAC(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
SMILESCC[C@H](N)c1ccco1.Cl
InChIInChI=1S/C7H11NO.ClH/c1-2-6(8)7-4-3-5-9-7;/h3-6H,2,8H2,1H3;1H/t6-;/m0./s1
InChIKeyBCNVPMDZPQVRDR-RGMNGODLSA-N
MW161.63 g/mol
LogP2.11
Rot. Bonds2

About (1S)-1-(furan-2-yl)propan-1-amine;hydrochloride

(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride (PubChem CID 11615221) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is (1S)-1-(furan-2-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
PubChem CID11615221
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
SMILESCC[C@H](N)c1ccco1.Cl
InChIInChI=1S/C7H11NO.ClH/c1-2-6(8)7-4-3-5-9-7;/h3-6H,2,8H2,1H3;1H/t6-;/m0./s1
InChIKeyBCNVPMDZPQVRDR-RGMNGODLSA-N
XLogP2.11
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-yl)butan-1-amine;hydrochloride
CID 86262899
1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 86263007
1-(furan-2-yl)decan-1-amine
CID 62716123
(1S)-1-(furan-2-yl)octan-1-amine
CID 98686139
1-(furan-2-yl)-3,3-dimethylbutan-1-amine;hydrochloride
CID 86263034
(4S)-4-amino-4-(furan-2-yl)butan-1-ol;hydrochloride
CID 171231726
2-amino-2-(furan-2-yl)ethanol
CID 54048773
(1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride
CID 156789139
(4S)-4-amino-4-(furan-2-yl)butan-1-ol
CID 131230101
1-(furan-2-yl)-4-methoxybutan-1-amine
CID 62716134
(3R)-3-amino-3-(furan-2-yl)propanoic acid;hydrochloride
CID 155903198
2-ethyl-1-(furan-2-yl)-3-methylbutan-1-amine
CID 82408122

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-2-yl)propan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(furan-2-yl)propan-1-amine;hydrochloride (CID 11615221) is (1S)-1-(furan-2-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(furan-2-yl)propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(furan-2-yl)propan-1-amine;hydrochloride is CC[C@H](N)c1ccco1.Cl.
What is the InChIKey of (1S)-1-(furan-2-yl)propan-1-amine;hydrochloride?
The InChIKey is BCNVPMDZPQVRDR-RGMNGODLSA-N. The full InChI is InChI=1S/C7H11NO.ClH/c1-2-6(8)7-4-3-5-9-7;/h3-6H,2,8H2,1H3;1H/t6-;/m0./s1.
What are the key properties of (1S)-1-(furan-2-yl)propan-1-amine;hydrochloride?
(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride has a molecular weight of 161.63 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(furan-2-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 11615221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).