1-[4-(aminomethyl)phenyl]-3,3-diethyl-1-propylurea

C15H25N3O — CID 79154788

IUPAC1-[4-(aminomethyl)phenyl]-3,3-diethyl-1-propylurea
SMILESCCCN(C(=O)N(CC)CC)c1ccc(CN)cc1
InChIInChI=1S/C15H25N3O/c1-4-11-18(15(19)17(5-2)6-3)14-9-7-13(12-16)8-10-14/h7-10H,4-6,11-12,16H2,1-3H3
InChIKeyKKEFOYXFKQRMBQ-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.82
Rot. Bonds6

About 1-[4-(aminomethyl)phenyl]-3,3-diethyl-1-propylurea

1-[4-(aminomethyl)phenyl]-3,3-diethyl-1-propylurea (PubChem CID 79154788) has the molecular formula C15H25N3O and a molecular weight of 263.39 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-3,3-diethyl-1-propylurea.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-3,3-diethyl-1-propylurea
PubChem CID79154788
Molecular FormulaC15H25N3O
Molecular Weight263.39 g/mol
Exact Mass263.20
IUPAC Name1-[4-(aminomethyl)phenyl]-3,3-diethyl-1-propylurea
SMILESCCCN(C(=O)N(CC)CC)c1ccc(CN)cc1
InChIInChI=1S/C15H25N3O/c1-4-11-18(15(19)17(5-2)6-3)14-9-7-13(12-16)8-10-14/h7-10H,4-6,11-12,16H2,1-3H3
InChIKeyKKEFOYXFKQRMBQ-UHFFFAOYSA-N
XLogP2.82
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(aminomethyl)phenyl]-4-hydroxy-N-propylbenzamide
CID 43275719
N-[4-(aminomethyl)phenyl]-N,2-dipropylpentanamide
CID 82984391
N-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide
CID 62688407
1-[4-(aminomethyl)phenyl]-3-tert-butyl-1-propylurea
CID 43275802
tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate
CID 43275716
N-[4-(aminomethyl)phenyl]-N-propylcyclobutanecarboxamide
CID 43275737
1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea
CID 79154007
N-[4-(aminomethyl)phenyl]-N-propylcyclohexanecarboxamide
CID 43275739
N-[4-(aminomethyl)phenyl]-5-ethyl-N-propylfuran-2-carboxamide
CID 79095271
N-[4-(aminomethyl)phenyl]-N-ethylhexanamide
CID 43275627
N-[4-(aminomethyl)phenyl]-5-methyl-N-propylfuran-3-carboxamide
CID 114818479
N-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 63085420

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-3,3-diethyl-1-propylurea?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-3,3-diethyl-1-propylurea (CID 79154788) is 1-[4-(aminomethyl)phenyl]-3,3-diethyl-1-propylurea.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-3,3-diethyl-1-propylurea?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-3,3-diethyl-1-propylurea is CCCN(C(=O)N(CC)CC)c1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-3,3-diethyl-1-propylurea?
The InChIKey is KKEFOYXFKQRMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-11-18(15(19)17(5-2)6-3)14-9-7-13(12-16)8-10-14/h7-10H,4-6,11-12,16H2,1-3H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-3,3-diethyl-1-propylurea?
1-[4-(aminomethyl)phenyl]-3,3-diethyl-1-propylurea has a molecular weight of 263.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-3,3-diethyl-1-propylurea is sourced from PubChem (CID 79154788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).