(2S)-2-[4-[(1S)-1-ethoxypropyl]phenyl]propan-1-amine

C14H23NO — CID 124500502

IUPAC(2S)-2-[4-[(1S)-1-ethoxypropyl]phenyl]propan-1-amine
SMILESCCO[C@@H](CC)c1ccc([C@H](C)CN)cc1
InChIInChI=1S/C14H23NO/c1-4-14(16-5-2)13-8-6-12(7-9-13)11(3)10-15/h6-9,11,14H,4-5,10,15H2,1-3H3/t11-,14+/m1/s1
InChIKeyKSUXQLVXJJYITG-RISCZKNCSA-N
MW221.34 g/mol
LogP3.24
Rot. Bonds6

About (2S)-2-[4-[(1S)-1-ethoxypropyl]phenyl]propan-1-amine

(2S)-2-[4-[(1S)-1-ethoxypropyl]phenyl]propan-1-amine (PubChem CID 124500502) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2S)-2-[4-[(1S)-1-ethoxypropyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name(2S)-2-[4-[(1S)-1-ethoxypropyl]phenyl]propan-1-amine
PubChem CID124500502
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2S)-2-[4-[(1S)-1-ethoxypropyl]phenyl]propan-1-amine
SMILESCCO[C@@H](CC)c1ccc([C@H](C)CN)cc1
InChIInChI=1S/C14H23NO/c1-4-14(16-5-2)13-8-6-12(7-9-13)11(3)10-15/h6-9,11,14H,4-5,10,15H2,1-3H3/t11-,14+/m1/s1
InChIKeyKSUXQLVXJJYITG-RISCZKNCSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(1S)-1-ethoxypropyl]phenyl]propan-1-amine?
The IUPAC name of (2S)-2-[4-[(1S)-1-ethoxypropyl]phenyl]propan-1-amine (CID 124500502) is (2S)-2-[4-[(1S)-1-ethoxypropyl]phenyl]propan-1-amine.
What is the SMILES notation for (2S)-2-[4-[(1S)-1-ethoxypropyl]phenyl]propan-1-amine?
The canonical SMILES for (2S)-2-[4-[(1S)-1-ethoxypropyl]phenyl]propan-1-amine is CCO[C@@H](CC)c1ccc([C@H](C)CN)cc1.
What is the InChIKey of (2S)-2-[4-[(1S)-1-ethoxypropyl]phenyl]propan-1-amine?
The InChIKey is KSUXQLVXJJYITG-RISCZKNCSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-14(16-5-2)13-8-6-12(7-9-13)11(3)10-15/h6-9,11,14H,4-5,10,15H2,1-3H3/t11-,14+/m1/s1.
What are the key properties of (2S)-2-[4-[(1S)-1-ethoxypropyl]phenyl]propan-1-amine?
(2S)-2-[4-[(1S)-1-ethoxypropyl]phenyl]propan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(1S)-1-ethoxypropyl]phenyl]propan-1-amine is sourced from PubChem (CID 124500502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).