4-[[2-aminoethyl(naphthalen-2-ylmethyl)amino]methyl]phenol

C20H22N2O — CID 102493799

IUPAC4-[[2-aminoethyl(naphthalen-2-ylmethyl)amino]methyl]phenol
SMILESNCCN(Cc1ccc(O)cc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C20H22N2O/c21-11-12-22(14-16-6-9-20(23)10-7-16)15-17-5-8-18-3-1-2-4-19(18)13-17/h1-10,13,23H,11-12,14-15,21H2
InChIKeyVYNPLDPKWPPTGP-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.51
Rot. Bonds6

About 4-[[2-aminoethyl(naphthalen-2-ylmethyl)amino]methyl]phenol

4-[[2-aminoethyl(naphthalen-2-ylmethyl)amino]methyl]phenol (PubChem CID 102493799) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-[[2-aminoethyl(naphthalen-2-ylmethyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[2-aminoethyl(naphthalen-2-ylmethyl)amino]methyl]phenol
PubChem CID102493799
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name4-[[2-aminoethyl(naphthalen-2-ylmethyl)amino]methyl]phenol
SMILESNCCN(Cc1ccc(O)cc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C20H22N2O/c21-11-12-22(14-16-6-9-20(23)10-7-16)15-17-5-8-18-3-1-2-4-19(18)13-17/h1-10,13,23H,11-12,14-15,21H2
InChIKeyVYNPLDPKWPPTGP-UHFFFAOYSA-N
XLogP3.51
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
[naphthalen-2-ylmethyl(phosphonomethyl)amino]methylphosphonic acid
CID 20776509
N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 39357118
N-(2-aminoethyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 55149469
4-(naphthalen-2-ylmethylsulfanyl)phenol
CID 175432279
3-amino-N-methyl-N-(naphthalen-2-ylmethyl)propanamide;hydrochloride
CID 119270375
N-benzyl-N-(naphthalen-2-ylmethyl)prop-2-yn-1-amine
CID 10446658
N'-[(4-fluorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]ethane-1,2-diamine
CID 23959578
N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 62922412
N-methyl-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine
CID 44767910
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
2-(bromomethyl)naphthalene;hydrobromide
CID 158623865

Frequently Asked Questions

What is the IUPAC name of 4-[[2-aminoethyl(naphthalen-2-ylmethyl)amino]methyl]phenol?
The IUPAC name of 4-[[2-aminoethyl(naphthalen-2-ylmethyl)amino]methyl]phenol (CID 102493799) is 4-[[2-aminoethyl(naphthalen-2-ylmethyl)amino]methyl]phenol.
What is the SMILES notation for 4-[[2-aminoethyl(naphthalen-2-ylmethyl)amino]methyl]phenol?
The canonical SMILES for 4-[[2-aminoethyl(naphthalen-2-ylmethyl)amino]methyl]phenol is NCCN(Cc1ccc(O)cc1)Cc1ccc2ccccc2c1.
What is the InChIKey of 4-[[2-aminoethyl(naphthalen-2-ylmethyl)amino]methyl]phenol?
The InChIKey is VYNPLDPKWPPTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c21-11-12-22(14-16-6-9-20(23)10-7-16)15-17-5-8-18-3-1-2-4-19(18)13-17/h1-10,13,23H,11-12,14-15,21H2.
What are the key properties of 4-[[2-aminoethyl(naphthalen-2-ylmethyl)amino]methyl]phenol?
4-[[2-aminoethyl(naphthalen-2-ylmethyl)amino]methyl]phenol has a molecular weight of 306.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-aminoethyl(naphthalen-2-ylmethyl)amino]methyl]phenol is sourced from PubChem (CID 102493799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).