N-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]-N-(cyclopropylmethyl)cyclopropanamine

C17H21FN2 — CID 64522605

IUPACN-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]-N-(cyclopropylmethyl)cyclopropanamine
SMILESNCC#Cc1ccc(CN(CC2CC2)C2CC2)c(F)c1
InChIInChI=1S/C17H21FN2/c18-17-10-13(2-1-9-19)5-6-15(17)12-20(16-7-8-16)11-14-3-4-14/h5-6,10,14,16H,3-4,7-9,11-12,19H2
InChIKeyJRYVCOUTSOAPKH-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.51
Rot. Bonds5

About N-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]-N-(cyclopropylmethyl)cyclopropanamine

N-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]-N-(cyclopropylmethyl)cyclopropanamine (PubChem CID 64522605) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]-N-(cyclopropylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]-N-(cyclopropylmethyl)cyclopropanamine
PubChem CID64522605
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]-N-(cyclopropylmethyl)cyclopropanamine
SMILESNCC#Cc1ccc(CN(CC2CC2)C2CC2)c(F)c1
InChIInChI=1S/C17H21FN2/c18-17-10-13(2-1-9-19)5-6-15(17)12-20(16-7-8-16)11-14-3-4-14/h5-6,10,14,16H,3-4,7-9,11-12,19H2
InChIKeyJRYVCOUTSOAPKH-UHFFFAOYSA-N
XLogP2.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(cyclopentylmethoxymethyl)-3-fluorophenyl]prop-2-yn-1-amine
CID 66323089
3-[3-fluoro-4-[[methyl(propan-2-yl)amino]methyl]phenyl]prop-2-yn-1-amine
CID 54968969
N-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]-N-methylbutan-2-amine
CID 54969217
N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine
CID 112828716
4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117963
3-[4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 64521221
3-[4-(butoxymethyl)-3-fluorophenyl]prop-2-yn-1-amine
CID 54970210
N-[(2-fluoro-4-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 102877828
N-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 55141662
3-[3-fluoro-4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]prop-2-yn-1-amine
CID 103404213
3-[4-(tert-butylsulfanylmethyl)-3-fluorophenyl]prop-2-yn-1-amine
CID 54970014
3-[3-fluoro-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]prop-2-yn-1-amine
CID 54969911

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]-N-(cyclopropylmethyl)cyclopropanamine?
The IUPAC name of N-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]-N-(cyclopropylmethyl)cyclopropanamine (CID 64522605) is N-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]-N-(cyclopropylmethyl)cyclopropanamine.
What is the SMILES notation for N-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]-N-(cyclopropylmethyl)cyclopropanamine?
The canonical SMILES for N-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]-N-(cyclopropylmethyl)cyclopropanamine is NCC#Cc1ccc(CN(CC2CC2)C2CC2)c(F)c1.
What is the InChIKey of N-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]-N-(cyclopropylmethyl)cyclopropanamine?
The InChIKey is JRYVCOUTSOAPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c18-17-10-13(2-1-9-19)5-6-15(17)12-20(16-7-8-16)11-14-3-4-14/h5-6,10,14,16H,3-4,7-9,11-12,19H2.
What are the key properties of N-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]-N-(cyclopropylmethyl)cyclopropanamine?
N-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]-N-(cyclopropylmethyl)cyclopropanamine has a molecular weight of 272.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]-N-(cyclopropylmethyl)cyclopropanamine is sourced from PubChem (CID 64522605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).