(2S)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)propan-1-ol

C18H21NO — CID 11043746

IUPAC(2S)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)propan-1-ol
SMILESC[C@@H](CO)NC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C18H21NO/c1-13(12-20)19-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18/h2-9,13,18-20H,10-12H2,1H3/t13-/m0/s1
InChIKeyBLLNSSPCXFONSR-ZDUSSCGKSA-N
MW267.37 g/mol
LogP2.85
Rot. Bonds3

About (2S)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)propan-1-ol

(2S)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)propan-1-ol (PubChem CID 11043746) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (2S)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)propan-1-ol
PubChem CID11043746
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(2S)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)propan-1-ol
SMILESC[C@@H](CO)NC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C18H21NO/c1-13(12-20)19-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18/h2-9,13,18-20H,10-12H2,1H3/t13-/m0/s1
InChIKeyBLLNSSPCXFONSR-ZDUSSCGKSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(9H-fluoren-9-ylamino)propan-1-ol
CID 43499687
(2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol
CID 114986954
2-(3,4-dihydro-1H-isochromen-4-ylamino)propan-1-ol
CID 107148964
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-1-ol
CID 115722752
N-(4-methoxybutan-2-yl)-9,10-dihydroanthracen-9-amine
CID 64605041
2-(9,10-dihydroanthracen-9-ylamino)propanoic acid
CID 62921269
(2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol
CID 103788965
(2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 103789078
2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol
CID 65315582
N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 115721717
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propan-1-ol
CID 81136488
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)propan-1-ol
CID 102772845

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)propan-1-ol?
The IUPAC name of (2S)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)propan-1-ol (CID 11043746) is (2S)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)propan-1-ol.
What is the SMILES notation for (2S)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)propan-1-ol?
The canonical SMILES for (2S)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)propan-1-ol is C[C@@H](CO)NC1c2ccccc2CCc2ccccc21.
What is the InChIKey of (2S)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)propan-1-ol?
The InChIKey is BLLNSSPCXFONSR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21NO/c1-13(12-20)19-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18/h2-9,13,18-20H,10-12H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)propan-1-ol?
(2S)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)propan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)propan-1-ol is sourced from PubChem (CID 11043746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).