1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]phenyl]propan-1-one

C16H19NO — CID 112677495

IUPAC1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]phenyl]propan-1-one
SMILESC#CCN(CC1CC1)c1ccccc1C(=O)CC
InChIInChI=1S/C16H19NO/c1-3-11-17(12-13-9-10-13)15-8-6-5-7-14(15)16(18)4-2/h1,5-8,13H,4,9-12H2,2H3
InChIKeyJLDUMZRVCRUZEZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.13
Rot. Bonds6

About 1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]phenyl]propan-1-one

1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]phenyl]propan-1-one (PubChem CID 112677495) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]phenyl]propan-1-one
PubChem CID112677495
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]phenyl]propan-1-one
SMILESC#CCN(CC1CC1)c1ccccc1C(=O)CC
InChIInChI=1S/C16H19NO/c1-3-11-17(12-13-9-10-13)15-8-6-5-7-14(15)16(18)4-2/h1,5-8,13H,4,9-12H2,2H3
InChIKeyJLDUMZRVCRUZEZ-UHFFFAOYSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(dibenzylamino)phenyl]propan-1-one
CID 174718965
1-[2-[bis(2-methoxyethyl)amino]phenyl]propan-1-one
CID 112677336
2-amino-3-[cyclopropylmethyl(propyl)amino]benzamide
CID 113332696
1-[5-[cyclopropylmethyl(prop-2-ynyl)amino]-2-pyridinyl]ethanone
CID 83119574
2-[cyclopropylmethyl(prop-2-ynyl)amino]-5-methylbenzonitrile
CID 114016918
N-(cyclopropylmethyl)-2-methyl-3-nitro-N-prop-2-ynylbenzamide
CID 115532484
1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]propan-1-one
CID 115994648
(1R)-1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-3-pyridinyl]ethanol
CID 114056189
N-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide
CID 115532787
N-(cyclopropylmethyl)-6-methyl-N-prop-2-ynylpyridine-2-carboxamide
CID 115532611
[3-chloro-2-[cyclopropylmethyl(prop-2-ynyl)amino]phenyl]methanol
CID 114067535
1-[2-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanone
CID 64520568

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]phenyl]propan-1-one?
The IUPAC name of 1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]phenyl]propan-1-one (CID 112677495) is 1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]phenyl]propan-1-one.
What is the SMILES notation for 1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]phenyl]propan-1-one?
The canonical SMILES for 1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]phenyl]propan-1-one is C#CCN(CC1CC1)c1ccccc1C(=O)CC.
What is the InChIKey of 1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]phenyl]propan-1-one?
The InChIKey is JLDUMZRVCRUZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-11-17(12-13-9-10-13)15-8-6-5-7-14(15)16(18)4-2/h1,5-8,13H,4,9-12H2,2H3.
What are the key properties of 1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]phenyl]propan-1-one?
1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]phenyl]propan-1-one has a molecular weight of 241.33 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]phenyl]propan-1-one is sourced from PubChem (CID 112677495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).