(2R)-2-amino-3-(4-octylanilino)propan-1-ol

C17H30N2O — CID 45255203

IUPAC(2R)-2-amino-3-(4-octylanilino)propan-1-ol
SMILESCCCCCCCCc1ccc(NC[C@@H](N)CO)cc1
InChIInChI=1S/C17H30N2O/c1-2-3-4-5-6-7-8-15-9-11-17(12-10-15)19-13-16(18)14-20/h9-12,16,19-20H,2-8,13-14,18H2,1H3/t16-/m1/s1
InChIKeyRCARSJSFSXRXLF-MRXNPFEDSA-N
MW278.44 g/mol
LogP3.32
Rot. Bonds11

About (2R)-2-amino-3-(4-octylanilino)propan-1-ol

(2R)-2-amino-3-(4-octylanilino)propan-1-ol (PubChem CID 45255203) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-octylanilino)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-octylanilino)propan-1-ol
PubChem CID45255203
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name(2R)-2-amino-3-(4-octylanilino)propan-1-ol
SMILESCCCCCCCCc1ccc(NC[C@@H](N)CO)cc1
InChIInChI=1S/C17H30N2O/c1-2-3-4-5-6-7-8-15-9-11-17(12-10-15)19-13-16(18)14-20/h9-12,16,19-20H,2-8,13-14,18H2,1H3/t16-/m1/s1
InChIKeyRCARSJSFSXRXLF-MRXNPFEDSA-N
XLogP3.32
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-octylanilino)propan-1-ol?
The IUPAC name of (2R)-2-amino-3-(4-octylanilino)propan-1-ol (CID 45255203) is (2R)-2-amino-3-(4-octylanilino)propan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-(4-octylanilino)propan-1-ol?
The canonical SMILES for (2R)-2-amino-3-(4-octylanilino)propan-1-ol is CCCCCCCCc1ccc(NC[C@@H](N)CO)cc1.
What is the InChIKey of (2R)-2-amino-3-(4-octylanilino)propan-1-ol?
The InChIKey is RCARSJSFSXRXLF-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H30N2O/c1-2-3-4-5-6-7-8-15-9-11-17(12-10-15)19-13-16(18)14-20/h9-12,16,19-20H,2-8,13-14,18H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-octylanilino)propan-1-ol?
(2R)-2-amino-3-(4-octylanilino)propan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 3.32, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-octylanilino)propan-1-ol is sourced from PubChem (CID 45255203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).