(2R)-1-(heptan-4-ylamino)-3-phenylpropan-2-ol

C16H27NO — CID 101489626

IUPAC(2R)-1-(heptan-4-ylamino)-3-phenylpropan-2-ol
SMILESCCCC(CCC)NC[C@H](O)Cc1ccccc1
InChIInChI=1S/C16H27NO/c1-3-8-15(9-4-2)17-13-16(18)12-14-10-6-5-7-11-14/h5-7,10-11,15-18H,3-4,8-9,12-13H2,1-2H3/t16-/m1/s1
InChIKeySTLMPLSITMUCRN-MRXNPFEDSA-N
MW249.40 g/mol
LogP3.15
Rot. Bonds9

About (2R)-1-(heptan-4-ylamino)-3-phenylpropan-2-ol

(2R)-1-(heptan-4-ylamino)-3-phenylpropan-2-ol (PubChem CID 101489626) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (2R)-1-(heptan-4-ylamino)-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(heptan-4-ylamino)-3-phenylpropan-2-ol
PubChem CID101489626
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(2R)-1-(heptan-4-ylamino)-3-phenylpropan-2-ol
SMILESCCCC(CCC)NC[C@H](O)Cc1ccccc1
InChIInChI=1S/C16H27NO/c1-3-8-15(9-4-2)17-13-16(18)12-14-10-6-5-7-11-14/h5-7,10-11,15-18H,3-4,8-9,12-13H2,1-2H3/t16-/m1/s1
InChIKeySTLMPLSITMUCRN-MRXNPFEDSA-N
XLogP3.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(heptan-4-ylamino)-3-phenylpropan-2-ol?
The IUPAC name of (2R)-1-(heptan-4-ylamino)-3-phenylpropan-2-ol (CID 101489626) is (2R)-1-(heptan-4-ylamino)-3-phenylpropan-2-ol.
What is the SMILES notation for (2R)-1-(heptan-4-ylamino)-3-phenylpropan-2-ol?
The canonical SMILES for (2R)-1-(heptan-4-ylamino)-3-phenylpropan-2-ol is CCCC(CCC)NC[C@H](O)Cc1ccccc1.
What is the InChIKey of (2R)-1-(heptan-4-ylamino)-3-phenylpropan-2-ol?
The InChIKey is STLMPLSITMUCRN-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-8-15(9-4-2)17-13-16(18)12-14-10-6-5-7-11-14/h5-7,10-11,15-18H,3-4,8-9,12-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-1-(heptan-4-ylamino)-3-phenylpropan-2-ol?
(2R)-1-(heptan-4-ylamino)-3-phenylpropan-2-ol has a molecular weight of 249.40 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(heptan-4-ylamino)-3-phenylpropan-2-ol is sourced from PubChem (CID 101489626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).