3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol

C14H21NO — CID 115765361

IUPAC3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
SMILESCc1ccc2c(c1)C(NCCCO)CCC2
InChIInChI=1S/C14H21NO/c1-11-6-7-12-4-2-5-14(13(12)10-11)15-8-3-9-16/h6-7,10,14-16H,2-5,8-9H2,1H3
InChIKeyQKBDKPWLAMUGFK-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.34
Rot. Bonds4

About 3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol

3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol (PubChem CID 115765361) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
PubChem CID115765361
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
SMILESCc1ccc2c(c1)C(NCCCO)CCC2
InChIInChI=1S/C14H21NO/c1-11-6-7-12-4-2-5-14(13(12)10-11)15-8-3-9-16/h6-7,10,14-16H,2-5,8-9H2,1H3
InChIKeyQKBDKPWLAMUGFK-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.34
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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Frequently Asked Questions

What is the IUPAC name of 3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol?
The IUPAC name of 3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol (CID 115765361) is 3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol is Cc1ccc2c(c1)C(NCCCO)CCC2.
What is the InChIKey of 3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol?
The InChIKey is QKBDKPWLAMUGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-6-7-12-4-2-5-14(13(12)10-11)15-8-3-9-16/h6-7,10,14-16H,2-5,8-9H2,1H3.
What are the key properties of 3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol?
3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol is sourced from PubChem (CID 115765361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).