4-[[2-(3-methylphenyl)ethylamino]methyl]phenol

C16H19NO — CID 62314610

IUPAC4-[[2-(3-methylphenyl)ethylamino]methyl]phenol
SMILESCc1cccc(CCNCc2ccc(O)cc2)c1
InChIInChI=1S/C16H19NO/c1-13-3-2-4-14(11-13)9-10-17-12-15-5-7-16(18)8-6-15/h2-8,11,17-18H,9-10,12H2,1H3
InChIKeyKDUQYPFCPQOMTC-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.03
Rot. Bonds5

About 4-[[2-(3-methylphenyl)ethylamino]methyl]phenol

4-[[2-(3-methylphenyl)ethylamino]methyl]phenol (PubChem CID 62314610) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[[2-(3-methylphenyl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[2-(3-methylphenyl)ethylamino]methyl]phenol
PubChem CID62314610
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-[[2-(3-methylphenyl)ethylamino]methyl]phenol
SMILESCc1cccc(CCNCc2ccc(O)cc2)c1
InChIInChI=1S/C16H19NO/c1-13-3-2-4-14(11-13)9-10-17-12-15-5-7-16(18)8-6-15/h2-8,11,17-18H,9-10,12H2,1H3
InChIKeyKDUQYPFCPQOMTC-UHFFFAOYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.03
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

2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62314975
4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide
CID 62314630
2,6-difluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenol
CID 79832467
2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 2063770
3-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
CID 69342737
N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348
4-[2-[(4-hydroxyphenyl)methylamino]ethyl]benzene-1,2-diol;hydrochloride
CID 6366773
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(3-methylphenyl)ethanamine
CID 62312995
6-methyl-2-[[2-(3-methylphenyl)ethylamino]methyl]pyridin-3-ol
CID 78928880
6-[2-(benzylamino)ethyl]naphthalen-2-ol;hydrobromide
CID 20541959
(2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol
CID 106932064

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-methylphenyl)ethylamino]methyl]phenol?
The IUPAC name of 4-[[2-(3-methylphenyl)ethylamino]methyl]phenol (CID 62314610) is 4-[[2-(3-methylphenyl)ethylamino]methyl]phenol.
What is the SMILES notation for 4-[[2-(3-methylphenyl)ethylamino]methyl]phenol?
The canonical SMILES for 4-[[2-(3-methylphenyl)ethylamino]methyl]phenol is Cc1cccc(CCNCc2ccc(O)cc2)c1.
What is the InChIKey of 4-[[2-(3-methylphenyl)ethylamino]methyl]phenol?
The InChIKey is KDUQYPFCPQOMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13-3-2-4-14(11-13)9-10-17-12-15-5-7-16(18)8-6-15/h2-8,11,17-18H,9-10,12H2,1H3.
What are the key properties of 4-[[2-(3-methylphenyl)ethylamino]methyl]phenol?
4-[[2-(3-methylphenyl)ethylamino]methyl]phenol has a molecular weight of 241.33 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-methylphenyl)ethylamino]methyl]phenol is sourced from PubChem (CID 62314610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).