1-[4-(aminomethyl)phenyl]-3-tert-butyl-1-propylurea

C15H25N3O — CID 43275802

IUPAC1-[4-(aminomethyl)phenyl]-3-tert-butyl-1-propylurea
SMILESCCCN(C(=O)NC(C)(C)C)c1ccc(CN)cc1
InChIInChI=1S/C15H25N3O/c1-5-10-18(14(19)17-15(2,3)4)13-8-6-12(11-16)7-9-13/h6-9H,5,10-11,16H2,1-4H3,(H,17,19)
InChIKeyUYFKCEIHXGXRSZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.87
Rot. Bonds4

About 1-[4-(aminomethyl)phenyl]-3-tert-butyl-1-propylurea

1-[4-(aminomethyl)phenyl]-3-tert-butyl-1-propylurea (PubChem CID 43275802) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-3-tert-butyl-1-propylurea.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-3-tert-butyl-1-propylurea
PubChem CID43275802
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[4-(aminomethyl)phenyl]-3-tert-butyl-1-propylurea
SMILESCCCN(C(=O)NC(C)(C)C)c1ccc(CN)cc1
InChIInChI=1S/C15H25N3O/c1-5-10-18(14(19)17-15(2,3)4)13-8-6-12(11-16)7-9-13/h6-9H,5,10-11,16H2,1-4H3,(H,17,19)
InChIKeyUYFKCEIHXGXRSZ-UHFFFAOYSA-N
XLogP2.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-3-tert-butyl-1-propylurea?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-3-tert-butyl-1-propylurea (CID 43275802) is 1-[4-(aminomethyl)phenyl]-3-tert-butyl-1-propylurea.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-3-tert-butyl-1-propylurea?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-3-tert-butyl-1-propylurea is CCCN(C(=O)NC(C)(C)C)c1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-3-tert-butyl-1-propylurea?
The InChIKey is UYFKCEIHXGXRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-10-18(14(19)17-15(2,3)4)13-8-6-12(11-16)7-9-13/h6-9H,5,10-11,16H2,1-4H3,(H,17,19).
What are the key properties of 1-[4-(aminomethyl)phenyl]-3-tert-butyl-1-propylurea?
1-[4-(aminomethyl)phenyl]-3-tert-butyl-1-propylurea has a molecular weight of 263.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-3-tert-butyl-1-propylurea is sourced from PubChem (CID 43275802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).