2-[[[4-(diethylamino)phenyl]methylamino]methyl]phenol

C18H24N2O — CID 115603020

IUPAC2-[[[4-(diethylamino)phenyl]methylamino]methyl]phenol
SMILESCCN(CC)c1ccc(CNCc2ccccc2O)cc1
InChIInChI=1S/C18H24N2O/c1-3-20(4-2)17-11-9-15(10-12-17)13-19-14-16-7-5-6-8-18(16)21/h5-12,19,21H,3-4,13-14H2,1-2H3
InChIKeyXSYSHDLZRVRSKD-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.53
Rot. Bonds7

About 2-[[[4-(diethylamino)phenyl]methylamino]methyl]phenol

2-[[[4-(diethylamino)phenyl]methylamino]methyl]phenol (PubChem CID 115603020) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[[[4-(diethylamino)phenyl]methylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[[4-(diethylamino)phenyl]methylamino]methyl]phenol
PubChem CID115603020
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-[[[4-(diethylamino)phenyl]methylamino]methyl]phenol
SMILESCCN(CC)c1ccc(CNCc2ccccc2O)cc1
InChIInChI=1S/C18H24N2O/c1-3-20(4-2)17-11-9-15(10-12-17)13-19-14-16-7-5-6-8-18(16)21/h5-12,19,21H,3-4,13-14H2,1-2H3
InChIKeyXSYSHDLZRVRSKD-UHFFFAOYSA-N
XLogP3.53
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-[[(2-methoxyphenyl)methylamino]methyl]aniline;dihydrochloride
CID 17208220
2-[(benzylamino)methyl]phenol chloride
CID 53350489
N,N-diethyl-4-[(pyridin-2-ylmethylamino)methyl]aniline
CID 834543
2-(ethylaminomethyl)phenol
CID 12995218
N,N-diethyl-4-[(pyridin-3-ylmethylamino)methyl]aniline
CID 1075944
N-[[4-(diethylamino)phenyl]methyl]-2-phenylacetamide
CID 99839692
N,N-diethyl-4-[(2-phenylethylamino)methyl]aniline;oxalic acid
CID 163327241
4-[(2-bromoprop-2-enylamino)methyl]-N,N-diethylaniline
CID 115614882
2-[[4-(diethylamino)phenyl]methylamino]-N-ethylacetamide
CID 43398896
3-[[4-(diethylamino)phenyl]methylamino]-2,2-difluoropropan-1-ol
CID 104857903
1-(4-ethylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 64680912
3-benzyl-1-[[4-(diethylamino)phenyl]methyl]-1-methylurea
CID 24664576

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(diethylamino)phenyl]methylamino]methyl]phenol?
The IUPAC name of 2-[[[4-(diethylamino)phenyl]methylamino]methyl]phenol (CID 115603020) is 2-[[[4-(diethylamino)phenyl]methylamino]methyl]phenol.
What is the SMILES notation for 2-[[[4-(diethylamino)phenyl]methylamino]methyl]phenol?
The canonical SMILES for 2-[[[4-(diethylamino)phenyl]methylamino]methyl]phenol is CCN(CC)c1ccc(CNCc2ccccc2O)cc1.
What is the InChIKey of 2-[[[4-(diethylamino)phenyl]methylamino]methyl]phenol?
The InChIKey is XSYSHDLZRVRSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-20(4-2)17-11-9-15(10-12-17)13-19-14-16-7-5-6-8-18(16)21/h5-12,19,21H,3-4,13-14H2,1-2H3.
What are the key properties of 2-[[[4-(diethylamino)phenyl]methylamino]methyl]phenol?
2-[[[4-(diethylamino)phenyl]methylamino]methyl]phenol has a molecular weight of 284.40 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(diethylamino)phenyl]methylamino]methyl]phenol is sourced from PubChem (CID 115603020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).