3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-1-ol

C13H19NO — CID 93026634

IUPAC3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-1-ol
SMILESOCCCN[C@H]1CCc2ccccc2C1
InChIInChI=1S/C13H19NO/c15-9-3-8-14-13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-5,13-15H,3,6-10H2/t13-/m0/s1
InChIKeyWRVWGOQIZQGQEA-ZDUSSCGKSA-N
MW205.30 g/mol
LogP1.52
Rot. Bonds4

About 3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-1-ol

3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-1-ol (PubChem CID 93026634) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-1-ol
PubChem CID93026634
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-1-ol
SMILESOCCCN[C@H]1CCc2ccccc2C1
InChIInChI=1S/C13H19NO/c15-9-3-8-14-13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-5,13-15H,3,6-10H2/t13-/m0/s1
InChIKeyWRVWGOQIZQGQEA-ZDUSSCGKSA-N
XLogP1.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol
CID 3030975
N-decyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60669476
N-(3-butoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115572613
N-ethyl-N-[3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propyl]methanesulfonamide
CID 61014017
N-(3-phenylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 15061903
2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethanesulfonamide
CID 43777346
N'-pyridin-3-yl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diamine
CID 95128968
N-(cyclobutylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43775224
N'-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine
CID 107126609
4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol
CID 106127210
3-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol
CID 67879898
N,N-diphenyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)acetamide
CID 68968368

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-1-ol?
The IUPAC name of 3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-1-ol (CID 93026634) is 3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-1-ol is OCCCN[C@H]1CCc2ccccc2C1.
What is the InChIKey of 3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-1-ol?
The InChIKey is WRVWGOQIZQGQEA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19NO/c15-9-3-8-14-13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-5,13-15H,3,6-10H2/t13-/m0/s1.
What are the key properties of 3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-1-ol?
3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-1-ol is sourced from PubChem (CID 93026634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).