benzyl 4-[(cyclopropylamino)methyl]benzoate

C18H19NO2 — CID 138498071

IUPACbenzyl 4-[(cyclopropylamino)methyl]benzoate
SMILESO=C(OCc1ccccc1)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C18H19NO2/c20-18(21-13-15-4-2-1-3-5-15)16-8-6-14(7-9-16)12-19-17-10-11-17/h1-9,17,19H,10-13H2
InChIKeyKFYVMOGWZMJWIS-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.30
Rot. Bonds6

About benzyl 4-[(cyclopropylamino)methyl]benzoate

benzyl 4-[(cyclopropylamino)methyl]benzoate (PubChem CID 138498071) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is benzyl 4-[(cyclopropylamino)methyl]benzoate.

Molecular Properties

Compound Namebenzyl 4-[(cyclopropylamino)methyl]benzoate
PubChem CID138498071
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Namebenzyl 4-[(cyclopropylamino)methyl]benzoate
SMILESO=C(OCc1ccccc1)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C18H19NO2/c20-18(21-13-15-4-2-1-3-5-15)16-8-6-14(7-9-16)12-19-17-10-11-17/h1-9,17,19H,10-13H2
InChIKeyKFYVMOGWZMJWIS-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(cyclopropylamino)methyl]benzoate
CID 16784234
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
benzyl benzoate
CID 2345
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
benzyl 3-bromo-5-[(oxan-4-ylamino)methyl]benzoate
CID 171383363
4-[[(4-cyclopropylcyclohexyl)amino]methyl]benzoic acid
CID 22501789
benzyl 4-acetylbenzoate
CID 590101
benzyl 4-bromobenzoate
CID 603177
4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol
CID 163349895
benzyl 4-[(pentylamino)methyl]benzoate
CID 167312129
benzyl 4-dimethylboranylbenzoate
CID 58436969
4-[(cyclooctylamino)methyl]benzoic acid;hydrochloride
CID 17158513

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(cyclopropylamino)methyl]benzoate?
The IUPAC name of benzyl 4-[(cyclopropylamino)methyl]benzoate (CID 138498071) is benzyl 4-[(cyclopropylamino)methyl]benzoate.
What is the SMILES notation for benzyl 4-[(cyclopropylamino)methyl]benzoate?
The canonical SMILES for benzyl 4-[(cyclopropylamino)methyl]benzoate is O=C(OCc1ccccc1)c1ccc(CNC2CC2)cc1.
What is the InChIKey of benzyl 4-[(cyclopropylamino)methyl]benzoate?
The InChIKey is KFYVMOGWZMJWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(21-13-15-4-2-1-3-5-15)16-8-6-14(7-9-16)12-19-17-10-11-17/h1-9,17,19H,10-13H2.
What are the key properties of benzyl 4-[(cyclopropylamino)methyl]benzoate?
benzyl 4-[(cyclopropylamino)methyl]benzoate has a molecular weight of 281.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(cyclopropylamino)methyl]benzoate is sourced from PubChem (CID 138498071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).