N-(cyclopropylmethyl)prop-2-en-1-amine;1-fluoro-4-methylbenzene

C14H20FN — CID 142940150

IUPACN-(cyclopropylmethyl)prop-2-en-1-amine;1-fluoro-4-methylbenzene
SMILESC=CCNCC1CC1.Cc1ccc(F)cc1
InChIInChI=1S/C7H7F.C7H13N/c1-6-2-4-7(8)5-3-6;1-2-5-8-6-7-3-4-7/h2-5H,1H3;2,7-8H,1,3-6H2
InChIKeyPFKBFFQNPVXEQY-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.31
Rot. Bonds4

About N-(cyclopropylmethyl)prop-2-en-1-amine;1-fluoro-4-methylbenzene

N-(cyclopropylmethyl)prop-2-en-1-amine;1-fluoro-4-methylbenzene (PubChem CID 142940150) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)prop-2-en-1-amine;1-fluoro-4-methylbenzene.

Molecular Properties

Compound NameN-(cyclopropylmethyl)prop-2-en-1-amine;1-fluoro-4-methylbenzene
PubChem CID142940150
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-(cyclopropylmethyl)prop-2-en-1-amine;1-fluoro-4-methylbenzene
SMILESC=CCNCC1CC1.Cc1ccc(F)cc1
InChIInChI=1S/C7H7F.C7H13N/c1-6-2-4-7(8)5-3-6;1-2-5-8-6-7-3-4-7/h2-5H,1H3;2,7-8H,1,3-6H2
InChIKeyPFKBFFQNPVXEQY-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine
CID 62139739
N-(4-fluorophenyl)-2-[(4-methylcyclohexyl)methylamino]acetamide
CID 63243623
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]ethanamine
CID 62599303
1-cyclopropyl-N-[[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]methanamine
CID 60866946
2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 119758034
N-[[4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-4-methylbenzamide
CID 23906657
N-[[3-[(prop-2-enylamino)methyl]cyclohexyl]methyl]prop-2-en-1-amine
CID 118013747
1-(4-fluorophenyl)-2-(prop-2-enylamino)ethanone
CID 15982679
4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213417
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79285198
1-fluoro-4-methylbenzene;methane
CID 158431518

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)prop-2-en-1-amine;1-fluoro-4-methylbenzene?
The IUPAC name of N-(cyclopropylmethyl)prop-2-en-1-amine;1-fluoro-4-methylbenzene (CID 142940150) is N-(cyclopropylmethyl)prop-2-en-1-amine;1-fluoro-4-methylbenzene.
What is the SMILES notation for N-(cyclopropylmethyl)prop-2-en-1-amine;1-fluoro-4-methylbenzene?
The canonical SMILES for N-(cyclopropylmethyl)prop-2-en-1-amine;1-fluoro-4-methylbenzene is C=CCNCC1CC1.Cc1ccc(F)cc1.
What is the InChIKey of N-(cyclopropylmethyl)prop-2-en-1-amine;1-fluoro-4-methylbenzene?
The InChIKey is PFKBFFQNPVXEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F.C7H13N/c1-6-2-4-7(8)5-3-6;1-2-5-8-6-7-3-4-7/h2-5H,1H3;2,7-8H,1,3-6H2.
What are the key properties of N-(cyclopropylmethyl)prop-2-en-1-amine;1-fluoro-4-methylbenzene?
N-(cyclopropylmethyl)prop-2-en-1-amine;1-fluoro-4-methylbenzene has a molecular weight of 221.32 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)prop-2-en-1-amine;1-fluoro-4-methylbenzene is sourced from PubChem (CID 142940150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).