4-methyl-2-[1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethyl]phenol

C19H23NO — CID 62303911

IUPAC4-methyl-2-[1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethyl]phenol
SMILESCc1ccc(O)c(C(C)NC2CCc3ccccc3C2)c1
InChIInChI=1S/C19H23NO/c1-13-7-10-19(21)18(11-13)14(2)20-17-9-8-15-5-3-4-6-16(15)12-17/h3-7,10-11,14,17,20-21H,8-9,12H2,1-2H3
InChIKeyDJDXTTSHSDXZLI-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.91
Rot. Bonds3

About 4-methyl-2-[1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethyl]phenol

4-methyl-2-[1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethyl]phenol (PubChem CID 62303911) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-methyl-2-[1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethyl]phenol
PubChem CID62303911
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-methyl-2-[1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethyl]phenol
SMILESCc1ccc(O)c(C(C)NC2CCc3ccccc3C2)c1
InChIInChI=1S/C19H23NO/c1-13-7-10-19(21)18(11-13)14(2)20-17-9-8-15-5-3-4-6-16(15)12-17/h3-7,10-11,14,17,20-21H,8-9,12H2,1-2H3
InChIKeyDJDXTTSHSDXZLI-UHFFFAOYSA-N
XLogP3.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81351587
N-[(1S)-1-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81353163
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43435521
2-[1-[(4-ethylcyclohexyl)amino]ethyl]-4-methylphenol
CID 61466696
2-[1-[(1,1-dioxothian-4-yl)amino]ethyl]-4-methylphenol
CID 43615113
N-[1-(3-bromophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43426726
4-methyl-2-[1-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]phenol
CID 103965620
6-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81354123
N,N-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propanamide
CID 43226352
4-methyl-2-[1-[(1-methylpiperidin-3-yl)amino]ethyl]phenol
CID 61210661
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81367851
N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 54863084

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethyl]phenol?
The IUPAC name of 4-methyl-2-[1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethyl]phenol (CID 62303911) is 4-methyl-2-[1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethyl]phenol is Cc1ccc(O)c(C(C)NC2CCc3ccccc3C2)c1.
What is the InChIKey of 4-methyl-2-[1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethyl]phenol?
The InChIKey is DJDXTTSHSDXZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13-7-10-19(21)18(11-13)14(2)20-17-9-8-15-5-3-4-6-16(15)12-17/h3-7,10-11,14,17,20-21H,8-9,12H2,1-2H3.
What are the key properties of 4-methyl-2-[1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethyl]phenol?
4-methyl-2-[1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethyl]phenol has a molecular weight of 281.40 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethyl]phenol is sourced from PubChem (CID 62303911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).