(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol

C14H21NO — CID 103922723

IUPAC(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
SMILESCC[C@H](CO)NC1CCCc2ccccc21
InChIInChI=1S/C14H21NO/c1-2-12(10-16)15-14-9-5-7-11-6-3-4-8-13(11)14/h3-4,6,8,12,14-16H,2,5,7,9-10H2,1H3/t12-,14?/m1/s1
InChIKeyPWJAEJDLIJTBOM-PUODRLBUSA-N
MW219.33 g/mol
LogP2.42
Rot. Bonds4

About (2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol

(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol (PubChem CID 103922723) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
PubChem CID103922723
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
SMILESCC[C@H](CO)NC1CCCc2ccccc21
InChIInChI=1S/C14H21NO/c1-2-12(10-16)15-14-9-5-7-11-6-3-4-8-13(11)14/h3-4,6,8,12,14-16H,2,5,7,9-10H2,1H3/t12-,14?/m1/s1
InChIKeyPWJAEJDLIJTBOM-PUODRLBUSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-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

3-methoxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-1-ol
CID 114094230
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanenitrile
CID 43652102
2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol
CID 65315582
4-methoxy-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-1-ol
CID 103785520
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
(2R)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol
CID 103922414
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43191940
(2R)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)ethanol
CID 107862596
(2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 103922391
N-(1-thiophen-2-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43110218
4,4-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-1-ol
CID 106349083

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol?
The IUPAC name of (2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol (CID 103922723) is (2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol.
What is the SMILES notation for (2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol?
The canonical SMILES for (2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol is CC[C@H](CO)NC1CCCc2ccccc21.
What is the InChIKey of (2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol?
The InChIKey is PWJAEJDLIJTBOM-PUODRLBUSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-12(10-16)15-14-9-5-7-11-6-3-4-8-13(11)14/h3-4,6,8,12,14-16H,2,5,7,9-10H2,1H3/t12-,14?/m1/s1.
What are the key properties of (2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol?
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol is sourced from PubChem (CID 103922723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).