(2S)-1-[furan-2-ylmethyl(3-methoxypropyl)amino]pentan-2-ol

C14H25NO3 — CID 93161280

IUPAC(2S)-1-[furan-2-ylmethyl(3-methoxypropyl)amino]pentan-2-ol
SMILESCCC[C@H](O)CN(CCCOC)Cc1ccco1
InChIInChI=1S/C14H25NO3/c1-3-6-13(16)11-15(8-5-9-17-2)12-14-7-4-10-18-14/h4,7,10,13,16H,3,5-6,8-9,11-12H2,1-2H3/t13-/m0/s1
InChIKeyYBMVEGQZBIYUJA-ZDUSSCGKSA-N
MW255.36 g/mol
LogP2.28
Rot. Bonds10

About (2S)-1-[furan-2-ylmethyl(3-methoxypropyl)amino]pentan-2-ol

(2S)-1-[furan-2-ylmethyl(3-methoxypropyl)amino]pentan-2-ol (PubChem CID 93161280) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2S)-1-[furan-2-ylmethyl(3-methoxypropyl)amino]pentan-2-ol.

Molecular Properties

Compound Name(2S)-1-[furan-2-ylmethyl(3-methoxypropyl)amino]pentan-2-ol
PubChem CID93161280
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(2S)-1-[furan-2-ylmethyl(3-methoxypropyl)amino]pentan-2-ol
SMILESCCC[C@H](O)CN(CCCOC)Cc1ccco1
InChIInChI=1S/C14H25NO3/c1-3-6-13(16)11-15(8-5-9-17-2)12-14-7-4-10-18-14/h4,7,10,13,16H,3,5-6,8-9,11-12H2,1-2H3/t13-/m0/s1
InChIKeyYBMVEGQZBIYUJA-ZDUSSCGKSA-N
XLogP2.28
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]pentan-2-ol
CID 24713749
1-[furan-2-ylmethyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 24713625
(2S)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93160750
1-[(2,5-dimethylphenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682220
1-[benzyl(2-methoxyethyl)amino]pentan-2-ol
CID 24713640
2-[furan-2-ylmethyl(propyl)amino]-1-phenylethanol
CID 42836985
1-[ethyl(furan-2-ylmethyl)amino]butan-2-ol
CID 61423764
1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682208
(2S)-1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93146968
(2R)-1-[(1-benzylpyrrol-2-yl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 7202218
N-(furan-2-ylmethyl)-N-pentylpentan-1-amine
CID 86163523
1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol
CID 112561353

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[furan-2-ylmethyl(3-methoxypropyl)amino]pentan-2-ol?
The IUPAC name of (2S)-1-[furan-2-ylmethyl(3-methoxypropyl)amino]pentan-2-ol (CID 93161280) is (2S)-1-[furan-2-ylmethyl(3-methoxypropyl)amino]pentan-2-ol.
What is the SMILES notation for (2S)-1-[furan-2-ylmethyl(3-methoxypropyl)amino]pentan-2-ol?
The canonical SMILES for (2S)-1-[furan-2-ylmethyl(3-methoxypropyl)amino]pentan-2-ol is CCC[C@H](O)CN(CCCOC)Cc1ccco1.
What is the InChIKey of (2S)-1-[furan-2-ylmethyl(3-methoxypropyl)amino]pentan-2-ol?
The InChIKey is YBMVEGQZBIYUJA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-6-13(16)11-15(8-5-9-17-2)12-14-7-4-10-18-14/h4,7,10,13,16H,3,5-6,8-9,11-12H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-1-[furan-2-ylmethyl(3-methoxypropyl)amino]pentan-2-ol?
(2S)-1-[furan-2-ylmethyl(3-methoxypropyl)amino]pentan-2-ol has a molecular weight of 255.36 g/mol, XLogP of 2.28, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[furan-2-ylmethyl(3-methoxypropyl)amino]pentan-2-ol is sourced from PubChem (CID 93161280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).