(S)-(3-chlorophenyl)-[(2S)-1-(1-phenylpropyl)azetidin-2-yl]methanamine

C19H23ClN2 — CID 10286440

IUPAC(S)-(3-chlorophenyl)-[(2S)-1-(1-phenylpropyl)azetidin-2-yl]methanamine
SMILESCCC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2/c1-2-17(14-7-4-3-5-8-14)22-12-11-18(22)19(21)15-9-6-10-16(20)13-15/h3-10,13,17-19H,2,11-12,21H2,1H3/t17?,18-,19-/m0/s1
InChIKeySJIMHAZVVWCGGD-MNNMKWMVSA-N
MW314.86 g/mol
LogP4.57
Rot. Bonds5

About (S)-(3-chlorophenyl)-[(2S)-1-(1-phenylpropyl)azetidin-2-yl]methanamine

(S)-(3-chlorophenyl)-[(2S)-1-(1-phenylpropyl)azetidin-2-yl]methanamine (PubChem CID 10286440) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is (S)-(3-chlorophenyl)-[(2S)-1-(1-phenylpropyl)azetidin-2-yl]methanamine.

Molecular Properties

Compound Name(S)-(3-chlorophenyl)-[(2S)-1-(1-phenylpropyl)azetidin-2-yl]methanamine
PubChem CID10286440
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC Name(S)-(3-chlorophenyl)-[(2S)-1-(1-phenylpropyl)azetidin-2-yl]methanamine
SMILESCCC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2/c1-2-17(14-7-4-3-5-8-14)22-12-11-18(22)19(21)15-9-6-10-16(20)13-15/h3-10,13,17-19H,2,11-12,21H2,1H3/t17?,18-,19-/m0/s1
InChIKeySJIMHAZVVWCGGD-MNNMKWMVSA-N
XLogP4.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-(3-chlorophenyl)-[(2S)-1-(1-phenylpropyl)azetidin-2-yl]methanamine?
The IUPAC name of (S)-(3-chlorophenyl)-[(2S)-1-(1-phenylpropyl)azetidin-2-yl]methanamine (CID 10286440) is (S)-(3-chlorophenyl)-[(2S)-1-(1-phenylpropyl)azetidin-2-yl]methanamine.
What is the SMILES notation for (S)-(3-chlorophenyl)-[(2S)-1-(1-phenylpropyl)azetidin-2-yl]methanamine?
The canonical SMILES for (S)-(3-chlorophenyl)-[(2S)-1-(1-phenylpropyl)azetidin-2-yl]methanamine is CCC(c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1.
What is the InChIKey of (S)-(3-chlorophenyl)-[(2S)-1-(1-phenylpropyl)azetidin-2-yl]methanamine?
The InChIKey is SJIMHAZVVWCGGD-MNNMKWMVSA-N. The full InChI is InChI=1S/C19H23ClN2/c1-2-17(14-7-4-3-5-8-14)22-12-11-18(22)19(21)15-9-6-10-16(20)13-15/h3-10,13,17-19H,2,11-12,21H2,1H3/t17?,18-,19-/m0/s1.
What are the key properties of (S)-(3-chlorophenyl)-[(2S)-1-(1-phenylpropyl)azetidin-2-yl]methanamine?
(S)-(3-chlorophenyl)-[(2S)-1-(1-phenylpropyl)azetidin-2-yl]methanamine has a molecular weight of 314.86 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-chlorophenyl)-[(2S)-1-(1-phenylpropyl)azetidin-2-yl]methanamine is sourced from PubChem (CID 10286440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).