N-prop-2-ynyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropanamine

C14H14F3NO — CID 87521307

IUPACN-prop-2-ynyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropanamine
SMILESC#CCN(Cc1ccc(OC(F)(F)F)cc1)C1CC1
InChIInChI=1S/C14H14F3NO/c1-2-9-18(12-5-6-12)10-11-3-7-13(8-4-11)19-14(15,16)17/h1,3-4,7-8,12H,5-6,9-10H2
InChIKeyPCPMQKHBPNAIRK-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.18
Rot. Bonds5

About N-prop-2-ynyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropanamine

N-prop-2-ynyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 87521307) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is N-prop-2-ynyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-prop-2-ynyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropanamine
PubChem CID87521307
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC NameN-prop-2-ynyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropanamine
SMILESC#CCN(Cc1ccc(OC(F)(F)F)cc1)C1CC1
InChIInChI=1S/C14H14F3NO/c1-2-9-18(12-5-6-12)10-11-3-7-13(8-4-11)19-14(15,16)17/h1,3-4,7-8,12H,5-6,9-10H2
InChIKeyPCPMQKHBPNAIRK-UHFFFAOYSA-N
XLogP3.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.18
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

N-(2-chloroethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropanamine
CID 63387590
N-prop-2-ynyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 87520664
N-(azetidin-3-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentanamine
CID 142725287
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43607736
N-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline
CID 174736613
N-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 24663515
N-[[4-(trifluoromethoxy)phenyl]methyl]prop-2-yn-1-amine
CID 158554259
4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672619
1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 62620228
N-(cyanomethyl)-N-cyclopropyl-4-(trifluoromethoxy)benzamide
CID 51093391
4-[4-cyano-3-[(2S)-3-[cyclopropyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-2-hydroxypropoxy]phenyl]benzoic acid
CID 70023987
(3R)-N-[(4-bromophenyl)methyl]-1,1-dioxo-N-prop-2-ynylthiolan-3-amine
CID 95139501

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-prop-2-ynyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropanamine (CID 87521307) is N-prop-2-ynyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-prop-2-ynyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-prop-2-ynyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropanamine is C#CCN(Cc1ccc(OC(F)(F)F)cc1)C1CC1.
What is the InChIKey of N-prop-2-ynyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is PCPMQKHBPNAIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-2-9-18(12-5-6-12)10-11-3-7-13(8-4-11)19-14(15,16)17/h1,3-4,7-8,12H,5-6,9-10H2.
What are the key properties of N-prop-2-ynyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropanamine?
N-prop-2-ynyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 269.27 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 87521307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).