(3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]oxolan-3-amine

C14H21NO — CID 95379352

IUPAC(3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]oxolan-3-amine
SMILESCCc1ccc([C@@H](C)N[C@H]2CCOC2)cc1
InChIInChI=1S/C14H21NO/c1-3-12-4-6-13(7-5-12)11(2)15-14-8-9-16-10-14/h4-7,11,14-15H,3,8-10H2,1-2H3/t11-,14+/m1/s1
InChIKeyRISKLTGOBDZYBK-RISCZKNCSA-N
MW219.33 g/mol
LogP2.69
Rot. Bonds4

About (3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]oxolan-3-amine

(3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]oxolan-3-amine (PubChem CID 95379352) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]oxolan-3-amine
PubChem CID95379352
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]oxolan-3-amine
SMILESCCc1ccc([C@@H](C)N[C@H]2CCOC2)cc1
InChIInChI=1S/C14H21NO/c1-3-12-4-6-13(7-5-12)11(2)15-14-8-9-16-10-14/h4-7,11,14-15H,3,8-10H2,1-2H3/t11-,14+/m1/s1
InChIKeyRISKLTGOBDZYBK-RISCZKNCSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[(1S)-1-(4-ethylphenyl)ethyl]oxolan-3-amine
CID 95379351
N-[1-(4-ethylphenyl)-2-methylpropyl]oxolan-3-amine
CID 119164778
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine
CID 80716691
N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949870
N-[1-(3-chloro-4-fluorophenyl)ethyl]oxolan-3-amine
CID 80717161
1-cyclopropyl-N-[1-(4-ethylphenyl)ethyl]piperidin-4-amine
CID 43747046
N-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine
CID 81354361
N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine
CID 81353413
4-[1-(oxan-4-ylamino)ethyl]phenol
CID 43609894
N-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine
CID 63360226
N-[1-[4-(2-methylpropoxy)phenyl]ethyl]oxan-3-amine
CID 63360332
N-(1-phenylethyl)oxan-4-amine
CID 43608319

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]oxolan-3-amine?
The IUPAC name of (3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]oxolan-3-amine (CID 95379352) is (3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]oxolan-3-amine.
What is the SMILES notation for (3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]oxolan-3-amine?
The canonical SMILES for (3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]oxolan-3-amine is CCc1ccc([C@@H](C)N[C@H]2CCOC2)cc1.
What is the InChIKey of (3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]oxolan-3-amine?
The InChIKey is RISKLTGOBDZYBK-RISCZKNCSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-12-4-6-13(7-5-12)11(2)15-14-8-9-16-10-14/h4-7,11,14-15H,3,8-10H2,1-2H3/t11-,14+/m1/s1.
What are the key properties of (3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]oxolan-3-amine?
(3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]oxolan-3-amine has a molecular weight of 219.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]oxolan-3-amine is sourced from PubChem (CID 95379352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).