[1-[(benzylamino)methyl]-2-phenylcyclopropyl]carbamic acid

C18H20N2O2 — CID 90204724

IUPAC[1-[(benzylamino)methyl]-2-phenylcyclopropyl]carbamic acid
SMILESO=C(O)NC1(CNCc2ccccc2)CC1c1ccccc1
InChIInChI=1S/C18H20N2O2/c21-17(22)20-18(11-16(18)15-9-5-2-6-10-15)13-19-12-14-7-3-1-4-8-14/h1-10,16,19-20H,11-13H2,(H,21,22)
InChIKeyBLDHBJCWJDKZKX-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.97
Rot. Bonds6

About [1-[(benzylamino)methyl]-2-phenylcyclopropyl]carbamic acid

[1-[(benzylamino)methyl]-2-phenylcyclopropyl]carbamic acid (PubChem CID 90204724) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is [1-[(benzylamino)methyl]-2-phenylcyclopropyl]carbamic acid.

Molecular Properties

Compound Name[1-[(benzylamino)methyl]-2-phenylcyclopropyl]carbamic acid
PubChem CID90204724
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name[1-[(benzylamino)methyl]-2-phenylcyclopropyl]carbamic acid
SMILESO=C(O)NC1(CNCc2ccccc2)CC1c1ccccc1
InChIInChI=1S/C18H20N2O2/c21-17(22)20-18(11-16(18)15-9-5-2-6-10-15)13-19-12-14-7-3-1-4-8-14/h1-10,16,19-20H,11-13H2,(H,21,22)
InChIKeyBLDHBJCWJDKZKX-UHFFFAOYSA-N
XLogP2.97
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(benzylamino)methyl]-2-phenylcyclopropyl]carbamic acid?
The IUPAC name of [1-[(benzylamino)methyl]-2-phenylcyclopropyl]carbamic acid (CID 90204724) is [1-[(benzylamino)methyl]-2-phenylcyclopropyl]carbamic acid.
What is the SMILES notation for [1-[(benzylamino)methyl]-2-phenylcyclopropyl]carbamic acid?
The canonical SMILES for [1-[(benzylamino)methyl]-2-phenylcyclopropyl]carbamic acid is O=C(O)NC1(CNCc2ccccc2)CC1c1ccccc1.
What is the InChIKey of [1-[(benzylamino)methyl]-2-phenylcyclopropyl]carbamic acid?
The InChIKey is BLDHBJCWJDKZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-17(22)20-18(11-16(18)15-9-5-2-6-10-15)13-19-12-14-7-3-1-4-8-14/h1-10,16,19-20H,11-13H2,(H,21,22).
What are the key properties of [1-[(benzylamino)methyl]-2-phenylcyclopropyl]carbamic acid?
[1-[(benzylamino)methyl]-2-phenylcyclopropyl]carbamic acid has a molecular weight of 296.37 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(benzylamino)methyl]-2-phenylcyclopropyl]carbamic acid is sourced from PubChem (CID 90204724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).