(2S)-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-methylbutan-1-ol

C16H25NO2 — CID 79253979

IUPAC(2S)-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-methylbutan-1-ol
SMILESCOc1ccc2c(c1)CCCC2N[C@H](CO)C(C)C
InChIInChI=1S/C16H25NO2/c1-11(2)16(10-18)17-15-6-4-5-12-9-13(19-3)7-8-14(12)15/h7-9,11,15-18H,4-6,10H2,1-3H3/t15?,16-/m1/s1
InChIKeyQCAMAIMDLRYRSD-OEMAIJDKSA-N
MW263.38 g/mol
LogP2.68
Rot. Bonds5

About (2S)-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-methylbutan-1-ol

(2S)-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-methylbutan-1-ol (PubChem CID 79253979) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (2S)-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-methylbutan-1-ol
PubChem CID79253979
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(2S)-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-methylbutan-1-ol
SMILESCOc1ccc2c(c1)CCCC2N[C@H](CO)C(C)C
InChIInChI=1S/C16H25NO2/c1-11(2)16(10-18)17-15-6-4-5-12-9-13(19-3)7-8-14(12)15/h7-9,11,15-18H,4-6,10H2,1-3H3/t15?,16-/m1/s1
InChIKeyQCAMAIMDLRYRSD-OEMAIJDKSA-N
XLogP2.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-methylbutan-1-ol with MolForge

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Related Compounds

N-butan-2-yl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43190307
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
N-(dicyclopropylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43096402
ethyl 2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate
CID 61498112
6-methoxy-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113262380
6-methoxy-N-[(1R)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81395323
N-ethyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 43574212
N-(1-ethylsulfanylpropan-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115725728
8-[(1-hydroxy-3-methylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114090991
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 43206577
1-cyclopropyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 55172738
6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81393164

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-methylbutan-1-ol (CID 79253979) is (2S)-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-methylbutan-1-ol is COc1ccc2c(c1)CCCC2N[C@H](CO)C(C)C.
What is the InChIKey of (2S)-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-methylbutan-1-ol?
The InChIKey is QCAMAIMDLRYRSD-OEMAIJDKSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)16(10-18)17-15-6-4-5-12-9-13(19-3)7-8-14(12)15/h7-9,11,15-18H,4-6,10H2,1-3H3/t15?,16-/m1/s1.
What are the key properties of (2S)-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-methylbutan-1-ol?
(2S)-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-methylbutan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 79253979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).