N-methylethanamine;phenylmethanol

C10H17NO — CID 144532377

IUPACN-methylethanamine;phenylmethanol
SMILESCCNC.OCc1ccccc1
InChIInChI=1S/C7H8O.C3H9N/c8-6-7-4-2-1-3-5-7;1-3-4-2/h1-5,8H,6H2;4H,3H2,1-2H3
InChIKeyLLEMFNIPTBGUJQ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.40
Rot. Bonds2

About N-methylethanamine;phenylmethanol

N-methylethanamine;phenylmethanol (PubChem CID 144532377) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-methylethanamine;phenylmethanol.

Molecular Properties

Compound NameN-methylethanamine;phenylmethanol
PubChem CID144532377
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-methylethanamine;phenylmethanol
SMILESCCNC.OCc1ccccc1
InChIInChI=1S/C7H8O.C3H9N/c8-6-7-4-2-1-3-5-7;1-3-4-2/h1-5,8H,6H2;4H,3H2,1-2H3
InChIKeyLLEMFNIPTBGUJQ-UHFFFAOYSA-N
XLogP1.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 166544439
phenylmethanol;zirconium
CID 18688174
phenylmethanol;hydrate
CID 68812705
sodium;methanolate;phenylmethanol
CID 70637518
phenylmethanol;phosphane;trihydrobromide
CID 174749424
ethane-1,2-diol;phenylmethanol
CID 69228462
disodium;hydride;phenylmethanol
CID 174792747
sodium;phenylmethanol;hydroxide
CID 67303637
phenylmethanol;titanium;dihydrochloride
CID 88632851

Frequently Asked Questions

What is the IUPAC name of N-methylethanamine;phenylmethanol?
The IUPAC name of N-methylethanamine;phenylmethanol (CID 144532377) is N-methylethanamine;phenylmethanol.
What is the SMILES notation for N-methylethanamine;phenylmethanol?
The canonical SMILES for N-methylethanamine;phenylmethanol is CCNC.OCc1ccccc1.
What is the InChIKey of N-methylethanamine;phenylmethanol?
The InChIKey is LLEMFNIPTBGUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C3H9N/c8-6-7-4-2-1-3-5-7;1-3-4-2/h1-5,8H,6H2;4H,3H2,1-2H3.
What are the key properties of N-methylethanamine;phenylmethanol?
N-methylethanamine;phenylmethanol has a molecular weight of 167.25 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylethanamine;phenylmethanol is sourced from PubChem (CID 144532377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).