1-[4-(1-aminoethyl)phenyl]-3-(2,2,3,3-tetramethylcyclopropyl)urea

C16H25N3O — CID 79357824

IUPAC1-[4-(1-aminoethyl)phenyl]-3-(2,2,3,3-tetramethylcyclopropyl)urea
SMILESCC(N)c1ccc(NC(=O)NC2C(C)(C)C2(C)C)cc1
InChIInChI=1S/C16H25N3O/c1-10(17)11-6-8-12(9-7-11)18-14(20)19-13-15(2,3)16(13,4)5/h6-10,13H,17H2,1-5H3,(H2,18,19,20)
InChIKeyTVNRNSITTFTYGS-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.26
Rot. Bonds3

About 1-[4-(1-aminoethyl)phenyl]-3-(2,2,3,3-tetramethylcyclopropyl)urea

1-[4-(1-aminoethyl)phenyl]-3-(2,2,3,3-tetramethylcyclopropyl)urea (PubChem CID 79357824) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)phenyl]-3-(2,2,3,3-tetramethylcyclopropyl)urea.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)phenyl]-3-(2,2,3,3-tetramethylcyclopropyl)urea
PubChem CID79357824
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[4-(1-aminoethyl)phenyl]-3-(2,2,3,3-tetramethylcyclopropyl)urea
SMILESCC(N)c1ccc(NC(=O)NC2C(C)(C)C2(C)C)cc1
InChIInChI=1S/C16H25N3O/c1-10(17)11-6-8-12(9-7-11)18-14(20)19-13-15(2,3)16(13,4)5/h6-10,13H,17H2,1-5H3,(H2,18,19,20)
InChIKeyTVNRNSITTFTYGS-UHFFFAOYSA-N
XLogP3.26
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea
CID 62414254
1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea
CID 43208686
1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea
CID 61342206
1-[4-(1-aminoethyl)phenyl]-3-(4-bromophenyl)urea
CID 61340372
1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea
CID 61340890
methyl 2-[[4-(1-aminoethyl)phenyl]carbamoylamino]-3-methylbutanoate
CID 61340214
N-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 16794453
1-[4-(1-aminoethyl)phenyl]-3-(6-methylheptan-2-yl)urea
CID 61471631
1-[4-[(1S)-1-aminoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824997
1-[4-(1-aminoethyl)phenyl]-3-[(2-bromophenyl)methyl]urea
CID 61414161
1-[4-(1-aminoethyl)phenyl]-3-(2-cyclopentylethyl)urea
CID 61341143
1-[4-(1-aminoethyl)phenyl]-3-(2-methylsulfonylethyl)urea
CID 61340704

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)phenyl]-3-(2,2,3,3-tetramethylcyclopropyl)urea?
The IUPAC name of 1-[4-(1-aminoethyl)phenyl]-3-(2,2,3,3-tetramethylcyclopropyl)urea (CID 79357824) is 1-[4-(1-aminoethyl)phenyl]-3-(2,2,3,3-tetramethylcyclopropyl)urea.
What is the SMILES notation for 1-[4-(1-aminoethyl)phenyl]-3-(2,2,3,3-tetramethylcyclopropyl)urea?
The canonical SMILES for 1-[4-(1-aminoethyl)phenyl]-3-(2,2,3,3-tetramethylcyclopropyl)urea is CC(N)c1ccc(NC(=O)NC2C(C)(C)C2(C)C)cc1.
What is the InChIKey of 1-[4-(1-aminoethyl)phenyl]-3-(2,2,3,3-tetramethylcyclopropyl)urea?
The InChIKey is TVNRNSITTFTYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-10(17)11-6-8-12(9-7-11)18-14(20)19-13-15(2,3)16(13,4)5/h6-10,13H,17H2,1-5H3,(H2,18,19,20).
What are the key properties of 1-[4-(1-aminoethyl)phenyl]-3-(2,2,3,3-tetramethylcyclopropyl)urea?
1-[4-(1-aminoethyl)phenyl]-3-(2,2,3,3-tetramethylcyclopropyl)urea has a molecular weight of 275.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)phenyl]-3-(2,2,3,3-tetramethylcyclopropyl)urea is sourced from PubChem (CID 79357824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).