[3-[3-(2-aminoethylamino)phenyl]phenyl]methanol

C15H18N2O — CID 71173377

IUPAC[3-[3-(2-aminoethylamino)phenyl]phenyl]methanol
SMILESNCCNc1cccc(-c2cccc(CO)c2)c1
InChIInChI=1S/C15H18N2O/c16-7-8-17-15-6-2-5-14(10-15)13-4-1-3-12(9-13)11-18/h1-6,9-10,17-18H,7-8,11,16H2
InChIKeyDMSKJSOQKWRPRW-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.22
Rot. Bonds5

About [3-[3-(2-aminoethylamino)phenyl]phenyl]methanol

[3-[3-(2-aminoethylamino)phenyl]phenyl]methanol (PubChem CID 71173377) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is [3-[3-(2-aminoethylamino)phenyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[3-(2-aminoethylamino)phenyl]phenyl]methanol
PubChem CID71173377
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name[3-[3-(2-aminoethylamino)phenyl]phenyl]methanol
SMILESNCCNc1cccc(-c2cccc(CO)c2)c1
InChIInChI=1S/C15H18N2O/c16-7-8-17-15-6-2-5-14(10-15)13-4-1-3-12(9-13)11-18/h1-6,9-10,17-18H,7-8,11,16H2
InChIKeyDMSKJSOQKWRPRW-UHFFFAOYSA-N
XLogP2.22
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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[3-(2,2-difluoroethylamino)phenyl]methanol
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4-[3-(hydroxymethyl)anilino]butane-1-sulfonic acid
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2-[3-[3-(hydroxymethyl)phenyl]phenyl]ethylcarbamic acid
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Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-aminoethylamino)phenyl]phenyl]methanol?
The IUPAC name of [3-[3-(2-aminoethylamino)phenyl]phenyl]methanol (CID 71173377) is [3-[3-(2-aminoethylamino)phenyl]phenyl]methanol.
What is the SMILES notation for [3-[3-(2-aminoethylamino)phenyl]phenyl]methanol?
The canonical SMILES for [3-[3-(2-aminoethylamino)phenyl]phenyl]methanol is NCCNc1cccc(-c2cccc(CO)c2)c1.
What is the InChIKey of [3-[3-(2-aminoethylamino)phenyl]phenyl]methanol?
The InChIKey is DMSKJSOQKWRPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-7-8-17-15-6-2-5-14(10-15)13-4-1-3-12(9-13)11-18/h1-6,9-10,17-18H,7-8,11,16H2.
What are the key properties of [3-[3-(2-aminoethylamino)phenyl]phenyl]methanol?
[3-[3-(2-aminoethylamino)phenyl]phenyl]methanol has a molecular weight of 242.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-aminoethylamino)phenyl]phenyl]methanol is sourced from PubChem (CID 71173377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).