2-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]phenol

C18H23NO2 — CID 43694661

IUPAC2-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]phenol
SMILESCC(C)Oc1cccc(C(C)NCc2ccccc2O)c1
InChIInChI=1S/C18H23NO2/c1-13(2)21-17-9-6-8-15(11-17)14(3)19-12-16-7-4-5-10-18(16)20/h4-11,13-14,19-20H,12H2,1-3H3
InChIKeySIKPVPAPMRXPGW-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.03
Rot. Bonds6

About 2-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]phenol

2-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]phenol (PubChem CID 43694661) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]phenol
PubChem CID43694661
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]phenol
SMILESCC(C)Oc1cccc(C(C)NCc2ccccc2O)c1
InChIInChI=1S/C18H23NO2/c1-13(2)21-17-9-6-8-15(11-17)14(3)19-12-16-7-4-5-10-18(16)20/h4-11,13-14,19-20H,12H2,1-3H3
InChIKeySIKPVPAPMRXPGW-UHFFFAOYSA-N
XLogP4.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indol-4-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 119110075
2-[(1-phenylethylamino)methyl]phenol
CID 3669487
6-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyridin-3-ol
CID 79782484
2-[(1-naphthalen-2-ylethylamino)methyl]phenol
CID 115602905
4-bromo-2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol
CID 107737946
N-(2-phenylethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694648
2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
CID 43723801
(1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376650
1-(3-propan-2-yloxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 112831409
2-bromo-6-[[1-(3-methoxyphenyl)ethylamino]methyl]phenol
CID 61391638
N-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43694615
(1S)-1-(3-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 81362672

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]phenol?
The IUPAC name of 2-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]phenol (CID 43694661) is 2-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]phenol?
The canonical SMILES for 2-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]phenol is CC(C)Oc1cccc(C(C)NCc2ccccc2O)c1.
What is the InChIKey of 2-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]phenol?
The InChIKey is SIKPVPAPMRXPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(2)21-17-9-6-8-15(11-17)14(3)19-12-16-7-4-5-10-18(16)20/h4-11,13-14,19-20H,12H2,1-3H3.
What are the key properties of 2-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]phenol?
2-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]phenol has a molecular weight of 285.39 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]phenol is sourced from PubChem (CID 43694661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).