N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine

C14H20FN — CID 62789509

IUPACN-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)ccc1F)C1CC1
InChIInChI=1S/C14H20FN/c1-3-8-16-14(11-5-6-11)12-9-10(2)4-7-13(12)15/h4,7,9,11,14,16H,3,5-6,8H2,1-2H3
InChIKeyUDNWNKNQASXEES-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.58
Rot. Bonds5

About N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine

N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine (PubChem CID 62789509) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
PubChem CID62789509
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)ccc1F)C1CC1
InChIInChI=1S/C14H20FN/c1-3-8-16-14(11-5-6-11)12-9-10(2)4-7-13(12)15/h4,7,9,11,14,16H,3,5-6,8H2,1-2H3
InChIKeyUDNWNKNQASXEES-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62791719
N-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65415800
N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine
CID 65018553
1-cyclopropyl-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 62791210
N-[(2-fluoro-5-methylphenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115852879
N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine
CID 115863518
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 63415562
[(2-fluoro-5-methylphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105210507
N-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495555
N-[(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 103346428
N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 65018552
N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 63501845

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine (CID 62789509) is N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine is CCCNC(c1cc(C)ccc1F)C1CC1.
What is the InChIKey of N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine?
The InChIKey is UDNWNKNQASXEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-3-8-16-14(11-5-6-11)12-9-10(2)4-7-13(12)15/h4,7,9,11,14,16H,3,5-6,8H2,1-2H3.
What are the key properties of N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine?
N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 62789509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).